(3S)-N-methyl-6-oxidanylidene-1-(pyridin-2-ylmethyl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide

Systemtic Name: (3S)-N-methyl-6-oxidanylidene-1-(pyridin-2-ylmethyl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide Openeye Name: (3S)-N-methyl-6-oxo-1-(2-pyridylmethyl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide CAS Name: (3S)-N-methyl-6-oxo-1-(2-pyridinylmethyl)-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-3-piperidinecarboxamide IUPAC Name: (3S)-N-methyl-6-oxo-1-(pyridin-2-ylmethyl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide Traditional Name: (3S)-6-keto-N-methyl-1-(2-pyridylmethyl)-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]nipecotamide Formula: C25H33N4O2+ MolecularWeight: 421.55512

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1C[NH+]2CCCC2)C(=O)C3CCC(=O)N(C3)CC4=CC=CC=N4

Isomeric SMILES

CN(CC1=CC=CC=C1C[NH+]2CCCC2)C(=O)[C@H]3CCC(=O)N(C3)CC4=CC=CC=N4

InChI

InChI=1S/C25H32N4O2/c1-27(16-20-8-2-3-9-21(20)17-28-14-6-7-15-28)25(31)22-11-12-24(30)29(18-22)19-23-10-4-5-13-26-23/h2-5,8-10,13,22H,6-7,11-12,14-19H2,1H3/p+1/t22-/m0/s1