2-[(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-(3,4,5-trimethoxyphenyl)carbonyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-(3,4,5-trimethoxyphenyl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-(3,4,5-trimethoxybenzoyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-(3,4,5-trimethoxybenzoyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-(3,4,5-trimethoxybenzoyl)amino]ethyl-dimethyl-ammonium Formula: C22H27ClN3O5S+ MolecularWeight: 480.98488

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClN3O5S/c1-25(2)9-10-26(22-24-18-15(28-3)8-7-14(23)20(18)32-22)21(27)13-11-16(29-4)19(31-6)17(12-13)30-5/h7-8,11-12H,9-10H2,1-6H3/p+1