2-[(6-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-(4-cyanophenyl)carbonyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(6-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-(4-cyanophenyl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-(4-cyanobenzoyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-[(4-cyanophenyl)-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-(4-cyanobenzoyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-(4-cyanobenzoyl)amino]ethyl-dimethyl-ammonium Formula: C20H20ClN4OS+ MolecularWeight: 399.917

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1N=C(S2)N(CC[NH+](C)C)C(=O)C3=CC=C(C=C3)C#N)Cl

Isomeric SMILES

CC1=CC(=CC2=C1N=C(S2)N(CC[NH+](C)C)C(=O)C3=CC=C(C=C3)C#N)Cl

InChI

InChI=1S/C20H19ClN4OS/c1-13-10-16(21)11-17-18(13)23-20(27-17)25(9-8-24(2)3)19(26)15-6-4-14(12-22)5-7-15/h4-7,10-11H,8-9H2,1-3H3/p+1