(3S)-N-[(1-methylbenzimidazol-2-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxidanylidene-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[(1-methylbenzimidazol-2-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxidanylidene-piperidine-3-carboxamide Openeye Name: (3S)-N-[(1-methylbenzimidazol-2-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxo-piperidine-3-carboxamide CAS Name: (3S)-N-[(1-methyl-2-benzimidazolyl)methyl]-1-[3-(4-morpholin-4-iumyl)propyl]-6-oxo-3-piperidinecarboxamide IUPAC Name: (3S)-N-[(1-methylbenzimidazol-2-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxopiperidine-3-carboxamide Traditional Name: (3S)-6-keto-N-[(1-methylbenzimidazol-2-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)nipecotamide Formula: C22H32N5O3+ MolecularWeight: 414.52118

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1CNC(=O)C3CCC(=O)N(C3)CCC[NH+]4CCOCC4

Isomeric SMILES

CN1C2=CC=CC=C2N=C1CNC(=O)[C@H]3CCC(=O)N(C3)CCC[NH+]4CCOCC4

InChI

InChI=1S/C22H31N5O3/c1-25-19-6-3-2-5-18(19)24-20(25)15-23-22(29)17-7-8-21(28)27(16-17)10-4-9-26-11-13-30-14-12-26/h2-3,5-6,17H,4,7-16H2,1H3,(H,23,29)/p+1/t17-/m0/s1