2-[(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-(3,4-dimethoxyphenyl)carbonyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-(3,4-dimethoxyphenyl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-(3,4-dimethoxybenzoyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-[(3,4-dimethoxyphenyl)-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-(3,4-dimethoxybenzoyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-veratroyl-amino]ethyl-dimethyl-ammonium Formula: C21H25ClN3O4S+ MolecularWeight: 450.9589

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(C1=NC2=C(C=CC(=C2S1)Cl)OC)C(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

C[NH+](C)CCN(C1=NC2=C(C=CC(=C2S1)Cl)OC)C(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H24ClN3O4S/c1-24(2)10-11-25(20(26)13-6-8-15(27-3)17(12-13)29-5)21-23-18-16(28-4)9-7-14(22)19(18)30-21/h6-9,12H,10-11H2,1-5H3/p+1