2-[1,3-benzothiazol-2-yl-(4-ethanoylphenyl)carbonyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[1,3-benzothiazol-2-yl-(4-ethanoylphenyl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4-acetylbenzoyl)-(1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(4-acetylphenyl)-oxomethyl]-(1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(4-acetylbenzoyl)-(1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[(4-acetylbenzoyl)-(1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium Formula: C20H22N3O2S+ MolecularWeight: 368.47258

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)C(=O)N(CC[NH+](C)C)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)C(=O)N(CC[NH+](C)C)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H21N3O2S/c1-14(24)15-8-10-16(11-9-15)19(25)23(13-12-22(2)3)20-21-17-6-4-5-7-18(17)26-20/h4-11H,12-13H2,1-3H3/p+1