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

Systemtic Name: 2-[(6-chloranyl-1,3-benzothiazol-2-yl)-(3-methylphenyl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[(6-chloro-1,3-benzothiazol-2-yl)-(3-methylbenzoyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(6-chloro-1,3-benzothiazol-2-yl)-[(3-methylphenyl)-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(6-chloro-1,3-benzothiazol-2-yl)-(3-methylbenzoyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(6-chloro-1,3-benzothiazol-2-yl)-m-toluoyl-amino]ethyl-dimethyl-ammonium Formula: C19H21ClN3OS+ MolecularWeight: 374.90754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N(CC[NH+](C)C)C2=NC3=C(S2)C=C(C=C3)Cl

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N(CC[NH+](C)C)C2=NC3=C(S2)C=C(C=C3)Cl

InChI

InChI=1S/C19H20ClN3OS/c1-13-5-4-6-14(11-13)18(24)23(10-9-22(2)3)19-21-16-8-7-15(20)12-17(16)25-19/h4-8,11-12H,9-10H2,1-3H3/p+1