N-[(1-methylimidazol-2-yl)methyl]-1-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-[(1-methylimidazol-2-yl)methyl]-1-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Openeye Name: N-[(1-methylimidazol-2-yl)methyl]-1-[1-(o-tolylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide CAS Name: N-[(1-methyl-2-imidazolyl)methyl]-1-[1-[(2-methylphenyl)methyl]-4-piperidin-1-iumyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[(1-methylimidazol-2-yl)methyl]-1-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[1-(2-methylbenzyl)piperidin-1-ium-4-yl]-N-[(1-methylimidazol-2-yl)methyl]piperidin-1-ium-4-carboxamide Formula: C24H37N5O+2 MolecularWeight: 411.58348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCC(CC2)[NH+]3CCC(CC3)C(=O)NCC4=NC=CN4C

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCC(CC2)[NH+]3CCC(CC3)C(=O)NCC4=NC=CN4C

InChI

InChI=1S/C24H35N5O/c1-19-5-3-4-6-21(19)18-28-12-9-22(10-13-28)29-14-7-20(8-15-29)24(30)26-17-23-25-11-16-27(23)2/h3-6,11,16,20,22H,7-10,12-15,17-18H2,1-2H3,(H,26,30)/p+2