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

Systemtic Name: 3-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-(4-methoxycarbonylphenyl)carbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-(4-methoxycarbonylbenzoyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-[(4-methoxycarbonylphenyl)-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-(4-methoxycarbonylbenzoyl)amino]propyl-dimethylazanium Traditional Name: 3-[(4-carbomethoxybenzoyl)-(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium Formula: C23H28N3O3S+ MolecularWeight: 426.55172

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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=CC=C(C=C3)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O3S/c1-15-13-19-20(14-16(15)2)30-23(24-19)26(12-6-11-25(3)4)21(27)17-7-9-18(10-8-17)22(28)29-5/h7-10,13-14H,6,11-12H2,1-5H3/p+1