N-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]-2-pyridin-1-ium-1-yl-ethanamide

Systemtic Name: N-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]-2-pyridin-1-ium-1-yl-ethanamide Openeye Name: N-[(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexyl]-2-pyridin-1-ium-1-yl-acetamide CAS Name: N-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]-2-(1-pyridin-1-iumyl)acetamide IUPAC Name: N-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]-2-pyridin-1-ium-1-ylacetamide Traditional Name: N-[(1R,2S,5R)-2-cumyl-5-methyl-cyclohexyl]-2-pyridin-1-ium-1-yl-acetamide Formula: C23H31N2O+ MolecularWeight: 351.50504

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)NC(=O)C[N+]2=CC=CC=C2)C(C)(C)C3=CC=CC=C3

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)NC(=O)C[N+]2=CC=CC=C2)C(C)(C)C3=CC=CC=C3

InChI

InChI=1S/C23H30N2O/c1-18-12-13-20(23(2,3)19-10-6-4-7-11-19)21(16-18)24-22(26)17-25-14-8-5-9-15-25/h4-11,14-15,18,20-21H,12-13,16-17H2,1-3H3/p+1/t18-,20-,21-/m1/s1