3-[(4-chlorophenyl)carbonyl-(4-ethoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(4-chlorophenyl)carbonyl-(4-ethoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(4-chlorobenzoyl)-(4-ethoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[(4-chlorophenyl)-oxomethyl]-(4-ethoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[(4-chlorobenzoyl)-(4-ethoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[(4-chlorobenzoyl)-(4-ethoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium Formula: C21H25ClN3O2S+ MolecularWeight: 418.9601

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC=C1)SC(=N2)N(CCC[NH+](C)C)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC1=C2C(=CC=C1)SC(=N2)N(CCC[NH+](C)C)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H24ClN3O2S/c1-4-27-17-7-5-8-18-19(17)23-21(28-18)25(14-6-13-24(2)3)20(26)15-9-11-16(22)12-10-15/h5,7-12H,4,6,13-14H2,1-3H3/p+1