[(1S)-2-[(3-chloranyl-4-methyl-1-benzothiophen-2-yl)carbonylamino]-1-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[(3-chloranyl-4-methyl-1-benzothiophen-2-yl)carbonylamino]-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[(3-chloro-4-methyl-benzothiophene-2-carbonyl)amino]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[(3-chloro-4-methyl-1-benzothiophen-2-yl)-oxomethyl]amino]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[(3-chloro-4-methyl-1-benzothiophene-2-carbonyl)amino]-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-[(3-chloro-4-methyl-benzothiophene-2-carbonyl)amino]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C20H22ClN2OS+ MolecularWeight: 373.91948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=C2Cl)C(=O)NCC(C3=CC=CC=C3)[NH+](C)C

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=C2Cl)C(=O)NC[C@H](C3=CC=CC=C3)[NH+](C)C

InChI

InChI=1S/C20H21ClN2OS/c1-13-8-7-11-16-17(13)18(21)19(25-16)20(24)22-12-15(23(2)3)14-9-5-4-6-10-14/h4-11,15H,12H2,1-3H3,(H,22,24)/p+1/t15-/m1/s1