1-methyl-1-[[1-[2-[1-[(1-methyl-4-oxidanylidene-piperidin-1-ium-1-yl)methyl]-4-oxidanylidene-piperidin-1-ium-1-yl]phenyl]-4-oxidanylidene-piperidin-1-ium-1-yl]methyl]piperidin-1-ium-4-one tetranitrate

Systemtic Name: 1-methyl-1-[[1-[2-[1-[(1-methyl-4-oxidanylidene-piperidin-1-ium-1-yl)methyl]-4-oxidanylidene-piperidin-1-ium-1-yl]phenyl]-4-oxidanylidene-piperidin-1-ium-1-yl]methyl]piperidin-1-ium-4-one tetranitrate Openeye Name: 1-methyl-1-[[1-[2-[1-[(1-methyl-4-oxo-piperidin-1-ium-1-yl)methyl]-4-oxo-piperidin-1-ium-1-yl]phenyl]-4-oxo-piperidin-1-ium-1-yl]methyl]piperidin-1-ium-4-one tetranitrate CAS Name: 1-methyl-1-[[1-[2-[1-[(1-methyl-4-oxo-1-piperidin-1-iumyl)methyl]-4-oxo-1-piperidin-1-iumyl]phenyl]-4-oxo-1-piperidin-1-iumyl]methyl]-4-piperidin-1-iumone tetranitrate IUPAC Name: 1-methyl-1-[[1-[2-[1-[(1-methyl-4-oxopiperidin-1-ium-1-yl)methyl]-4-oxopiperidin-1-ium-1-yl]phenyl]-4-oxopiperidin-1-ium-1-yl]methyl]piperidin-1-ium-4-one tetranitrate Traditional Name: 1-[[4-keto-1-[2-[4-keto-1-[(4-keto-1-methyl-piperidin-1-ium-1-yl)methyl]piperidin-1-ium-1-yl]phenyl]piperidin-1-ium-1-yl]methyl]-1-methyl-piperidin-1-ium-4-one tetranitrate Formula: C30H46N8O16 MolecularWeight: 774.73024

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(=O)CC1)C[N+]2(CCC(=O)CC2)C3=CC=CC=C3[N+]4(CCC(=O)CC4)C[N+]5(CCC(=O)CC5)C.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-]

Isomeric SMILES

C[N+]1(CCC(=O)CC1)C[N+]2(CCC(=O)CC2)C3=CC=CC=C3[N+]4(CCC(=O)CC4)C[N+]5(CCC(=O)CC5)C.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-]

InChI

InChI=1S/C30H46N4O4.4NO3/c1-31(15-7-25(35)8-16-31)23-33(19-11-27(37)12-20-33)29-5-3-4-6-30(29)34(21-13-28(38)14-22-34)24-32(2)17-9-26(36)10-18-32;4*2-1(3)4/h3-6H,7-24H2,1-2H3;;;;/q+4;4*-1