(3S)-1-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide

Systemtic Name: (3S)-1-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide Openeye Name: (3S)-1-[1-(o-tolylmethyl)piperidin-1-ium-4-yl]-N-(3-pyridylmethyl)piperidine-3-carboxamide CAS Name: (3S)-1-[1-[(2-methylphenyl)methyl]-4-piperidin-1-iumyl]-N-(3-pyridinylmethyl)-3-piperidinecarboxamide IUPAC Name: (3S)-1-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide Traditional Name: (3S)-1-[1-(2-methylbenzyl)piperidin-1-ium-4-yl]-N-(3-pyridylmethyl)nipecotamide Formula: C25H35N4O+ MolecularWeight: 407.5716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCC(CC2)N3CCCC(C3)C(=O)NCC4=CN=CC=C4

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCC(CC2)N3CCC[C@@H](C3)C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C25H34N4O/c1-20-6-2-3-8-22(20)18-28-14-10-24(11-15-28)29-13-5-9-23(19-29)25(30)27-17-21-7-4-12-26-16-21/h2-4,6-8,12,16,23-24H,5,9-11,13-15,17-19H2,1H3,(H,27,30)/p+1/t23-/m0/s1