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

Systemtic Name: N-[(1S,2R)-2-methylcyclohexyl]-1-(phenylmethyl)pyridin-1-ium-3-carboxamide Openeye Name: 1-benzyl-N-[(1S,2R)-2-methylcyclohexyl]pyridin-1-ium-3-carboxamide CAS Name: N-[(1S,2R)-2-methylcyclohexyl]-1-(phenylmethyl)-3-pyridin-1-iumcarboxamide IUPAC Name: 1-benzyl-N-[(1S,2R)-2-methylcyclohexyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-benzyl-N-[(1S,2R)-2-methylcyclohexyl]pyridin-1-ium-3-carboxamide Formula: C20H25N2O+ MolecularWeight: 309.4253

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C2=C[N+](=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

C[C@@H]1CCCC[C@@H]1NC(=O)C2=C[N+](=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C20H24N2O/c1-16-8-5-6-12-19(16)21-20(23)18-11-7-13-22(15-18)14-17-9-3-2-4-10-17/h2-4,7,9-11,13,15-16,19H,5-6,8,12,14H2,1H3/p+1/t16-,19+/m1/s1