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

Systemtic Name: 3-[(2-chlorophenyl)carbonyl-(6-ethoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(2-chlorobenzoyl)-(6-ethoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[(2-chlorophenyl)-oxomethyl]-(6-ethoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[(2-chlorobenzoyl)-(6-ethoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[(2-chlorobenzoyl)-(6-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=CC2=C(C=C1)N=C(S2)N(CCC[NH+](C)C)C(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N(CCC[NH+](C)C)C(=O)C3=CC=CC=C3Cl

InChI

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