N-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-1-(phenylmethyl)pyridin-1-ium-3-carboxamide

Systemtic Name: N-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-1-(phenylmethyl)pyridin-1-ium-3-carboxamide Openeye Name: 1-benzyl-N-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]pyridin-1-ium-3-carboxamide CAS Name: N-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-1-(phenylmethyl)-3-pyridin-1-iumcarboxamide IUPAC Name: 1-benzyl-N-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-benzyl-N-[(1S,2R)-2-methylolcyclohexyl]pyridin-1-ium-3-carboxamide Formula: C20H25N2O2+ MolecularWeight: 325.4247

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)CO)NC(=O)C2=C[N+](=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

C1CC[C@@H]([C@@H](C1)CO)NC(=O)C2=C[N+](=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C20H24N2O2/c23-15-18-9-4-5-11-19(18)21-20(24)17-10-6-12-22(14-17)13-16-7-2-1-3-8-16/h1-3,6-8,10,12,14,18-19,23H,4-5,9,11,13,15H2/p+1/t18-,19-/m0/s1