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

Systemtic Name: N-[(2-methylphenyl)methyl]-1-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Openeye Name: N-(o-tolylmethyl)-1-[1-(o-tolylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide CAS Name: N-[(2-methylphenyl)methyl]-1-[1-[(2-methylphenyl)methyl]-4-piperidin-1-iumyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[(2-methylphenyl)methyl]-1-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Traditional Name: N-(2-methylbenzyl)-1-[1-(2-methylbenzyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Formula: C27H39N3O+2 MolecularWeight: 421.61806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)C2CC[NH+](CC2)C3CC[NH+](CC3)CC4=CC=CC=C4C

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)C2CC[NH+](CC2)C3CC[NH+](CC3)CC4=CC=CC=C4C

InChI

InChI=1S/C27H37N3O/c1-21-7-3-5-9-24(21)19-28-27(31)23-11-17-30(18-12-23)26-13-15-29(16-14-26)20-25-10-6-4-8-22(25)2/h3-10,23,26H,11-20H2,1-2H3,(H,28,31)/p+2