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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)N(CCC[NH+](C)C)C(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)N(CCC[NH+](C)C)C(=O)C3=CC=C(C=C3)C(=O)OC

InChI

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