(3S)-N-[(1-ethylimidazol-2-yl)methyl]-1-(1-methylpiperidin-1-ium-4-yl)piperidine-3-carboxamide

Systemtic Name: (3S)-N-[(1-ethylimidazol-2-yl)methyl]-1-(1-methylpiperidin-1-ium-4-yl)piperidine-3-carboxamide Openeye Name: (3S)-N-[(1-ethylimidazol-2-yl)methyl]-1-(1-methylpiperidin-1-ium-4-yl)piperidine-3-carboxamide CAS Name: (3S)-N-[(1-ethyl-2-imidazolyl)methyl]-1-(1-methyl-4-piperidin-1-iumyl)-3-piperidinecarboxamide IUPAC Name: (3S)-N-[(1-ethylimidazol-2-yl)methyl]-1-(1-methylpiperidin-1-ium-4-yl)piperidine-3-carboxamide Traditional Name: (3S)-N-[(1-ethylimidazol-2-yl)methyl]-1-(1-methylpiperidin-1-ium-4-yl)nipecotamide Formula: C18H32N5O+ MolecularWeight: 334.47958

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CN=C1CNC(=O)C2CCCN(C2)C3CC[NH+](CC3)C

Isomeric SMILES

CCN1C=CN=C1CNC(=O)[C@H]2CCCN(C2)C3CC[NH+](CC3)C

InChI

InChI=1S/C18H31N5O/c1-3-22-12-8-19-17(22)13-20-18(24)15-5-4-9-23(14-15)16-6-10-21(2)11-7-16/h8,12,15-16H,3-7,9-11,13-14H2,1-2H3,(H,20,24)/p+1/t15-/m0/s1