(2S)-2-(azepan-1-ium-1-yl)-N-(2,5-dimethylphenyl)-2-phenyl-ethanamide

Systemtic Name: (2S)-2-(azepan-1-ium-1-yl)-N-(2,5-dimethylphenyl)-2-phenyl-ethanamide Openeye Name: (2S)-2-(azepan-1-ium-1-yl)-N-(2,5-dimethylphenyl)-2-phenyl-acetamide CAS Name: (2S)-2-(1-azepan-1-iumyl)-N-(2,5-dimethylphenyl)-2-phenylacetamide IUPAC Name: (2S)-2-(azepan-1-ium-1-yl)-N-(2,5-dimethylphenyl)-2-phenylacetamide Traditional Name: (2S)-2-(azepan-1-ium-1-yl)-N-(2,5-dimethylphenyl)-2-phenyl-acetamide Formula: C22H29N2O+ MolecularWeight: 337.47846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C2=CC=CC=C2)[NH+]3CCCCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)[C@H](C2=CC=CC=C2)[NH+]3CCCCCC3

InChI

InChI=1S/C22H28N2O/c1-17-12-13-18(2)20(16-17)23-22(25)21(19-10-6-5-7-11-19)24-14-8-3-4-9-15-24/h5-7,10-13,16,21H,3-4,8-9,14-15H2,1-2H3,(H,23,25)/p+1/t21-/m0/s1