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

Systemtic Name: (3S)-N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxidanylidene-piperidine-3-carboxamide Openeye Name: (3S)-N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxo-piperidine-3-carboxamide CAS Name: (3S)-N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-1-[3-(4-morpholin-4-iumyl)propyl]-6-oxo-3-piperidinecarboxamide IUPAC Name: (3S)-N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxopiperidine-3-carboxamide Traditional Name: (3S)-6-keto-N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)nipecotamide Formula: C23H34N5O3+ MolecularWeight: 428.54776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)NC(=N2)CN(C)C(=O)C3CCC(=O)N(C3)CCC[NH+]4CCOCC4

Isomeric SMILES

CC1=C2C(=CC=C1)NC(=N2)CN(C)C(=O)[C@H]3CCC(=O)N(C3)CCC[NH+]4CCOCC4

InChI

InChI=1S/C23H33N5O3/c1-17-5-3-6-19-22(17)25-20(24-19)16-26(2)23(30)18-7-8-21(29)28(15-18)10-4-9-27-11-13-31-14-12-27/h3,5-6,18H,4,7-16H2,1-2H3,(H,24,25)/p+1/t18-/m0/s1