1-ethanoyl-N-[[2-[methyl-(phenylmethyl)amino]pyridin-1-ium-3-yl]methyl]piperidine-4-carboxamide

Systemtic Name: 1-ethanoyl-N-[[2-[methyl-(phenylmethyl)amino]pyridin-1-ium-3-yl]methyl]piperidine-4-carboxamide Openeye Name: 1-acetyl-N-[[2-[benzyl(methyl)amino]pyridin-1-ium-3-yl]methyl]piperidine-4-carboxamide CAS Name: 1-acetyl-N-[[2-[methyl-(phenylmethyl)amino]-3-pyridin-1-iumyl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-acetyl-N-[[2-[benzyl(methyl)amino]pyridin-1-ium-3-yl]methyl]piperidine-4-carboxamide Traditional Name: 1-acetyl-N-[[2-[benzyl(methyl)amino]pyridin-1-ium-3-yl]methyl]isonipecotamide Formula: C22H29N4O2+ MolecularWeight: 381.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)C(=O)NCC2=C([NH+]=CC=C2)N(C)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)N1CCC(CC1)C(=O)NCC2=C([NH+]=CC=C2)N(C)CC3=CC=CC=C3

InChI

InChI=1S/C22H28N4O2/c1-17(27)26-13-10-19(11-14-26)22(28)24-15-20-9-6-12-23-21(20)25(2)16-18-7-4-3-5-8-18/h3-9,12,19H,10-11,13-16H2,1-2H3,(H,24,28)/p+1