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

Systemtic Name: 2-[(4-cyanophenyl)carbonyl-(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4-cyanobenzoyl)-(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(4-cyanophenyl)-oxomethyl]-(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(4-cyanobenzoyl)-(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[(4-cyanobenzoyl)-(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium Formula: C20H21N4OS+ MolecularWeight: 365.47194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)N(CC[NH+](C)C)C(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)N(CC[NH+](C)C)C(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H20N4OS/c1-14-5-4-6-17-18(14)22-20(26-17)24(12-11-23(2)3)19(25)16-9-7-15(13-21)8-10-16/h4-10H,11-12H2,1-3H3/p+1