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

Systemtic Name: 2-[(4-chloranyl-1,3-benzothiazol-2-yl)-(3,4,5-trimethoxyphenyl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4-chloro-1,3-benzothiazol-2-yl)-(3,4,5-trimethoxybenzoyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(4-chloro-1,3-benzothiazol-2-yl)-[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(4-chloro-1,3-benzothiazol-2-yl)-(3,4,5-trimethoxybenzoyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(4-chloro-1,3-benzothiazol-2-yl)-(3,4,5-trimethoxybenzoyl)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(S1)C=CC=C2Cl)C(=O)C3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

C[NH+](C)CCN(C1=NC2=C(S1)C=CC=C2Cl)C(=O)C3=CC(=C(C(=C3)OC)OC)OC

InChI

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