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

Systemtic Name: (3S)-N-methyl-6-oxidanylidene-1-phenethyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide Openeye Name: (3S)-N-methyl-6-oxo-1-phenethyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide CAS Name: (3S)-N-methyl-6-oxo-1-phenethyl-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-3-piperidinecarboxamide IUPAC Name: (3S)-N-methyl-6-oxo-1-phenethyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide Traditional Name: (3S)-6-keto-N-methyl-1-phenethyl-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]nipecotamide Formula: C27H36N3O2+ MolecularWeight: 434.59364

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1C[NH+]2CCCC2)C(=O)C3CCC(=O)N(C3)CCC4=CC=CC=C4

Isomeric SMILES

CN(CC1=CC=CC=C1C[NH+]2CCCC2)C(=O)[C@H]3CCC(=O)N(C3)CCC4=CC=CC=C4

InChI

InChI=1S/C27H35N3O2/c1-28(19-23-11-5-6-12-24(23)20-29-16-7-8-17-29)27(32)25-13-14-26(31)30(21-25)18-15-22-9-3-2-4-10-22/h2-6,9-12,25H,7-8,13-21H2,1H3/p+1/t25-/m0/s1