(3S)-1-(cyclohexylmethyl)-6-oxidanylidene-N-[(1-piperidin-1-ium-1-ylcyclopentyl)methyl]piperidine-3-carboxamide

Systemtic Name: (3S)-1-(cyclohexylmethyl)-6-oxidanylidene-N-[(1-piperidin-1-ium-1-ylcyclopentyl)methyl]piperidine-3-carboxamide Openeye Name: (3S)-1-(cyclohexylmethyl)-6-oxo-N-[(1-piperidin-1-ium-1-ylcyclopentyl)methyl]piperidine-3-carboxamide CAS Name: (3S)-1-(cyclohexylmethyl)-6-oxo-N-[[1-(1-piperidin-1-iumyl)cyclopentyl]methyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(cyclohexylmethyl)-6-oxo-N-[(1-piperidin-1-ium-1-ylcyclopentyl)methyl]piperidine-3-carboxamide Traditional Name: (3S)-1-(cyclohexylmethyl)-6-keto-N-[(1-piperidin-1-ium-1-ylcyclopentyl)methyl]nipecotamide Formula: C24H42N3O2+ MolecularWeight: 404.60918

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN2CC(CCC2=O)C(=O)NCC3(CCCC3)[NH+]4CCCCC4

Isomeric SMILES

C1CCC(CC1)CN2C[C@H](CCC2=O)C(=O)NCC3(CCCC3)[NH+]4CCCCC4

InChI

InChI=1S/C24H41N3O2/c28-22-12-11-21(18-26(22)17-20-9-3-1-4-10-20)23(29)25-19-24(13-5-6-14-24)27-15-7-2-8-16-27/h20-21H,1-19H2,(H,25,29)/p+1/t21-/m0/s1