2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]-N-(2,4,6-trimethylphenyl)ethanamide

Systemtic Name: 2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]-N-(2,4,6-trimethylphenyl)ethanamide Openeye Name: 2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]-N-(2,4,6-trimethylphenyl)acetamide CAS Name: 2-[(2R)-2-(4-methoxyphenyl)-1-azepan-1-iumyl]-N-(2,4,6-trimethylphenyl)acetamide IUPAC Name: 2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]-N-(2,4,6-trimethylphenyl)acetamide Traditional Name: N-mesityl-2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]acetamide Formula: C24H33N2O2+ MolecularWeight: 381.53102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C[NH+]2CCCCCC2C3=CC=C(C=C3)OC)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)C[NH+]2CCCCC[C@@H]2C3=CC=C(C=C3)OC)C

InChI

InChI=1S/C24H32N2O2/c1-17-14-18(2)24(19(3)15-17)25-23(27)16-26-13-7-5-6-8-22(26)20-9-11-21(28-4)12-10-20/h9-12,14-15,22H,5-8,13,16H2,1-4H3,(H,25,27)/p+1/t22-/m1/s1