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

Systemtic Name: 3-[(2,4-dimethylphenyl)carbonyl-(6-ethoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(2,4-dimethylbenzoyl)-(6-ethoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[(2,4-dimethylphenyl)-oxomethyl]-(6-ethoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[(2,4-dimethylbenzoyl)-(6-ethoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[(2,4-dimethylbenzoyl)-(6-ethoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium Formula: C23H30N3O2S+ MolecularWeight: 412.5682

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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=C(C=C(C=C3)C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O2S/c1-6-28-18-9-11-20-21(15-18)29-23(24-20)26(13-7-12-25(4)5)22(27)19-10-8-16(2)14-17(19)3/h8-11,14-15H,6-7,12-13H2,1-5H3/p+1