N-(2,6-dimethylphenyl)-1-[4-(phenylmethyl)piperidin-1-ium-1-yl]cyclohexane-1-carboxamide

Systemtic Name: N-(2,6-dimethylphenyl)-1-[4-(phenylmethyl)piperidin-1-ium-1-yl]cyclohexane-1-carboxamide Openeye Name: 1-(4-benzylpiperidin-1-ium-1-yl)-N-(2,6-dimethylphenyl)cyclohexanecarboxamide CAS Name: N-(2,6-dimethylphenyl)-1-[4-(phenylmethyl)-1-piperidin-1-iumyl]-1-cyclohexanecarboxamide IUPAC Name: 1-(4-benzylpiperidin-1-ium-1-yl)-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide Traditional Name: 1-(4-benzylpiperidin-1-ium-1-yl)-N-(2,6-dimethylphenyl)cyclohexanecarboxamide Formula: C27H37N2O+ MolecularWeight: 405.59548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C2(CCCCC2)[NH+]3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C2(CCCCC2)[NH+]3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H36N2O/c1-21-10-9-11-22(2)25(21)28-26(30)27(16-7-4-8-17-27)29-18-14-24(15-19-29)20-23-12-5-3-6-13-23/h3,5-6,9-13,24H,4,7-8,14-20H2,1-2H3,(H,28,30)/p+1