N-[2-(1H-imidazol-3-ium-5-yl)ethyl]-1-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]piperidine-4-carboxamide

Systemtic Name: N-[2-(1H-imidazol-3-ium-5-yl)ethyl]-1-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]piperidine-4-carboxamide Openeye Name: N-[2-(1H-imidazol-3-ium-5-yl)ethyl]-1-[1-(o-tolylmethyl)piperidin-1-ium-4-yl]piperidine-4-carboxamide CAS Name: N-[2-(1H-imidazol-3-ium-5-yl)ethyl]-1-[1-[(2-methylphenyl)methyl]-4-piperidin-1-iumyl]-4-piperidinecarboxamide IUPAC Name: N-[2-(1H-imidazol-3-ium-5-yl)ethyl]-1-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]piperidine-4-carboxamide Traditional Name: N-[2-(1H-imidazol-3-ium-5-yl)ethyl]-1-[1-(2-methylbenzyl)piperidin-1-ium-4-yl]isonipecotamide Formula: C24H37N5O+2 MolecularWeight: 411.58348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCC(CC2)N3CCC(CC3)C(=O)NCCC4=C[NH+]=CN4

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCC(CC2)N3CCC(CC3)C(=O)NCCC4=C[NH+]=CN4

InChI

InChI=1S/C24H35N5O/c1-19-4-2-3-5-21(19)17-28-12-9-23(10-13-28)29-14-7-20(8-15-29)24(30)26-11-6-22-16-25-18-27-22/h2-5,16,18,20,23H,6-15,17H2,1H3,(H,25,27)(H,26,30)/p+2