3-[(2,3-dimethoxyphenyl)carbonyl-(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(2,3-dimethoxyphenyl)carbonyl-(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(2,3-dimethoxybenzoyl)-(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[(2,3-dimethoxyphenyl)-oxomethyl]-(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[(2,3-dimethoxybenzoyl)-(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-o-veratroyl-amino]propyl-dimethyl-ammonium Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O3S/c1-15-13-18-20(14-16(15)2)30-23(24-18)26(12-8-11-25(3)4)22(27)17-9-7-10-19(28-5)21(17)29-6/h7,9-10,13-14H,8,11-12H2,1-6H3/p+1