2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-(3,4,5-trimethoxyphenyl)carbonyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-(3,4,5-trimethoxyphenyl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-(3,4,5-trimethoxybenzoyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-(3,4,5-trimethoxybenzoyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-(3,4,5-trimethoxybenzoyl)amino]ethyl-dimethyl-ammonium Formula: C23H30N3O4S+ MolecularWeight: 444.567

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)N(CC[NH+](C)C)C(=O)C3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)N(CC[NH+](C)C)C(=O)C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C23H29N3O4S/c1-14-10-17-20(11-15(14)2)31-23(24-17)26(9-8-25(3)4)22(27)16-12-18(28-5)21(30-7)19(13-16)29-6/h10-13H,8-9H2,1-7H3/p+1