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

Systemtic Name: 1-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)piperidine-4-carboxamide Openeye Name: 1-[1-(o-tolylmethyl)piperidin-1-ium-4-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)piperidine-4-carboxamide CAS Name: 1-[1-[(2-methylphenyl)methyl]-4-piperidin-1-iumyl]-N-[2-(1-pyrrolidin-1-iumyl)ethyl]-4-piperidinecarboxamide IUPAC Name: 1-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)piperidine-4-carboxamide Traditional Name: 1-[1-(2-methylbenzyl)piperidin-1-ium-4-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)isonipecotamide Formula: C25H42N4O+2 MolecularWeight: 414.62718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCC(CC2)N3CCC(CC3)C(=O)NCC[NH+]4CCCC4

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCC(CC2)N3CCC(CC3)C(=O)NCC[NH+]4CCCC4

InChI

InChI=1S/C25H40N4O/c1-21-6-2-3-7-23(21)20-28-15-10-24(11-16-28)29-17-8-22(9-18-29)25(30)26-12-19-27-13-4-5-14-27/h2-3,6-7,22,24H,4-5,8-20H2,1H3,(H,26,30)/p+2