2-[(7-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-[2-(4-methoxyphenyl)ethanoyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(7-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-[2-(4-methoxyphenyl)ethanoyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-[2-(4-methoxyphenyl)acetyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-[2-(4-methoxyphenyl)-1-oxoethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-[2-(4-methoxyphenyl)acetyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-[2-(4-methoxyphenyl)acetyl]amino]ethyl-dimethyl-ammonium Formula: C21H25ClN3O2S+ MolecularWeight: 418.9601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)Cl)SC(=N2)N(CC[NH+](C)C)C(=O)CC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C2C(=C(C=C1)Cl)SC(=N2)N(CC[NH+](C)C)C(=O)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H24ClN3O2S/c1-14-5-10-17(22)20-19(14)23-21(28-20)25(12-11-24(2)3)18(26)13-15-6-8-16(27-4)9-7-15/h5-10H,11-13H2,1-4H3/p+1