(2S)-2-(azepan-1-ium-1-yl)-N-(2-ethoxyphenyl)-2-phenyl-ethanamide

Systemtic Name: (2S)-2-(azepan-1-ium-1-yl)-N-(2-ethoxyphenyl)-2-phenyl-ethanamide Openeye Name: (2S)-2-(azepan-1-ium-1-yl)-N-(2-ethoxyphenyl)-2-phenyl-acetamide CAS Name: (2S)-2-(1-azepan-1-iumyl)-N-(2-ethoxyphenyl)-2-phenylacetamide IUPAC Name: (2S)-2-(azepan-1-ium-1-yl)-N-(2-ethoxyphenyl)-2-phenylacetamide Traditional Name: (2S)-2-(azepan-1-ium-1-yl)-N-o-phenetyl-2-phenyl-acetamide Formula: C22H29N2O2+ MolecularWeight: 353.47786

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C(C2=CC=CC=C2)[NH+]3CCCCCC3

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)[C@H](C2=CC=CC=C2)[NH+]3CCCCCC3

InChI

InChI=1S/C22H28N2O2/c1-2-26-20-15-9-8-14-19(20)23-22(25)21(18-12-6-5-7-13-18)24-16-10-3-4-11-17-24/h5-9,12-15,21H,2-4,10-11,16-17H2,1H3,(H,23,25)/p+1/t21-/m0/s1