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

Systemtic Name: 2-[(6-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-(3-methoxyphenyl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-(3-methoxybenzoyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-[(3-methoxyphenyl)-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-(3-methoxybenzoyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-m-anisoyl-amino]ethyl-dimethyl-ammonium Formula: C20H23ClN3O2S+ MolecularWeight: 404.93352

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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(=CC=C3)OC)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O2S/c1-13-10-15(21)12-17-18(13)22-20(27-17)24(9-8-23(2)3)19(25)14-6-5-7-16(11-14)26-4/h5-7,10-12H,8-9H2,1-4H3/p+1