3-[(3,4-dimethoxyphenyl)carbonyl-(5,7-dimethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(3,4-dimethoxyphenyl)carbonyl-(5,7-dimethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(3,4-dimethoxybenzoyl)-(5,7-dimethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[(3,4-dimethoxyphenyl)-oxomethyl]-(5,7-dimethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[(3,4-dimethoxybenzoyl)-(5,7-dimethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[(5,7-dimethyl-1,3-benzothiazol-2-yl)-veratroyl-amino]propyl-dimethyl-ammonium Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N=C(S2)N(CCC[NH+](C)C)C(=O)C3=CC(=C(C=C3)OC)OC)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N=C(S2)N(CCC[NH+](C)C)C(=O)C3=CC(=C(C=C3)OC)OC)C

InChI

InChI=1S/C23H29N3O3S/c1-15-12-16(2)21-18(13-15)24-23(30-21)26(11-7-10-25(3)4)22(27)17-8-9-19(28-5)20(14-17)29-6/h8-9,12-14H,7,10-11H2,1-6H3/p+1