(2S)-N-(2-phenylphenyl)-2-(1,4-thiazepan-4-ium-4-yl)propanamide

Systemtic Name: (2S)-N-(2-phenylphenyl)-2-(1,4-thiazepan-4-ium-4-yl)propanamide Openeye Name: (2S)-N-(2-phenylphenyl)-2-(1,4-thiazepan-4-ium-4-yl)propanamide CAS Name: (2S)-N-(2-phenylphenyl)-2-(1,4-thiazepan-4-ium-4-yl)propanamide IUPAC Name: (2S)-N-(2-phenylphenyl)-2-(1,4-thiazepan-4-ium-4-yl)propanamide Traditional Name: (2S)-N-(2-phenylphenyl)-2-(1,4-thiazepan-4-ium-4-yl)propionamide Formula: C20H25N2OS+ MolecularWeight: 341.4903

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C2=CC=CC=C2)[NH+]3CCCSCC3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1C2=CC=CC=C2)[NH+]3CCCSCC3

InChI

InChI=1S/C20H24N2OS/c1-16(22-12-7-14-24-15-13-22)20(23)21-19-11-6-5-10-18(19)17-8-3-2-4-9-17/h2-6,8-11,16H,7,12-15H2,1H3,(H,21,23)/p+1/t16-/m0/s1