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

Systemtic Name: (3S)-1-(cyclohexylmethyl)-N-methyl-6-oxidanylidene-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide Openeye Name: (3S)-1-(cyclohexylmethyl)-N-methyl-6-oxo-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide CAS Name: (3S)-1-(cyclohexylmethyl)-N-methyl-6-oxo-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(cyclohexylmethyl)-N-methyl-6-oxo-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide Traditional Name: (3S)-1-(cyclohexylmethyl)-6-keto-N-methyl-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]nipecotamide Formula: C26H40N3O2+ MolecularWeight: 426.6147

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1C[NH+]2CCCC2)C(=O)C3CCC(=O)N(C3)CC4CCCCC4

Isomeric SMILES

CN(CC1=CC=CC=C1C[NH+]2CCCC2)C(=O)[C@H]3CCC(=O)N(C3)CC4CCCCC4

InChI

InChI=1S/C26H39N3O2/c1-27(18-22-11-5-6-12-23(22)19-28-15-7-8-16-28)26(31)24-13-14-25(30)29(20-24)17-21-9-3-2-4-10-21/h5-6,11-12,21,24H,2-4,7-10,13-20H2,1H3/p+1/t24-/m0/s1