(3S)-N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-1-(1-methylpiperidin-1-ium-4-yl)piperidine-3-carboxamide

Systemtic Name: (3S)-N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-1-(1-methylpiperidin-1-ium-4-yl)piperidine-3-carboxamide Openeye Name: (3S)-N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-1-(1-methylpiperidin-1-ium-4-yl)piperidine-3-carboxamide CAS Name: (3S)-N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-1-(1-methyl-4-piperidin-1-iumyl)-3-piperidinecarboxamide IUPAC Name: (3S)-N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-1-(1-methylpiperidin-1-ium-4-yl)piperidine-3-carboxamide Traditional Name: (3S)-N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-1-(1-methylpiperidin-1-ium-4-yl)nipecotamide Formula: C22H34N5O+ MolecularWeight: 384.53826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N=C(N2)CNC(=O)C3CCCN(C3)C4CC[NH+](CC4)C

Isomeric SMILES

CC1=CC2=C(C=C1C)N=C(N2)CNC(=O)[C@H]3CCCN(C3)C4CC[NH+](CC4)C

InChI

InChI=1S/C22H33N5O/c1-15-11-19-20(12-16(15)2)25-21(24-19)13-23-22(28)17-5-4-8-27(14-17)18-6-9-26(3)10-7-18/h11-12,17-18H,4-10,13-14H2,1-3H3,(H,23,28)(H,24,25)/p+1/t17-/m0/s1