(3S)-N-[(1-methylimidazol-2-yl)methyl]-1-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperidine-3-carboxamide

Systemtic Name: (3S)-N-[(1-methylimidazol-2-yl)methyl]-1-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperidine-3-carboxamide Openeye Name: (3S)-1-(1-benzylpiperidin-1-ium-4-yl)-N-[(1-methylimidazol-2-yl)methyl]piperidine-3-carboxamide CAS Name: (3S)-N-[(1-methyl-2-imidazolyl)methyl]-1-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(1-benzylpiperidin-1-ium-4-yl)-N-[(1-methylimidazol-2-yl)methyl]piperidine-3-carboxamide Traditional Name: (3S)-1-(1-benzylpiperidin-1-ium-4-yl)-N-[(1-methylimidazol-2-yl)methyl]nipecotamide Formula: C23H34N5O+ MolecularWeight: 396.54896

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1CNC(=O)C2CCCN(C2)C3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CN1C=CN=C1CNC(=O)[C@H]2CCCN(C2)C3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H33N5O/c1-26-15-11-24-22(26)16-25-23(29)20-8-5-12-28(18-20)21-9-13-27(14-10-21)17-19-6-3-2-4-7-19/h2-4,6-7,11,15,20-21H,5,8-10,12-14,16-18H2,1H3,(H,25,29)/p+1/t20-/m0/s1