[1-[1-[(4-propan-2-ylphenyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [1-[1-[(4-propan-2-ylphenyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]-pyrrolidin-1-yl-methanone Openeye Name: [1-[1-[(4-isopropylphenyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]-pyrrolidin-1-yl-methanone CAS Name: [1-[1-[(4-propan-2-ylphenyl)methyl]-4-piperidin-1-iumyl]-4-piperidin-1-iumyl]-(1-pyrrolidinyl)methanone IUPAC Name: [1-[1-[(4-propan-2-ylphenyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]-pyrrolidin-1-ylmethanone Traditional Name: [1-[1-(4-isopropylbenzyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]-pyrrolidino-methanone Formula: C25H41N3O+2 MolecularWeight: 399.61254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+]2CCC(CC2)[NH+]3CCC(CC3)C(=O)N4CCCC4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH+]2CCC(CC2)[NH+]3CCC(CC3)C(=O)N4CCCC4

InChI

InChI=1S/C25H39N3O/c1-20(2)22-7-5-21(6-8-22)19-26-15-11-24(12-16-26)27-17-9-23(10-18-27)25(29)28-13-3-4-14-28/h5-8,20,23-24H,3-4,9-19H2,1-2H3/p+2