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

Systemtic Name: 3-[(2,5-dimethylphenyl)carbonyl-(4-ethoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(2,5-dimethylbenzoyl)-(4-ethoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[(2,5-dimethylphenyl)-oxomethyl]-(4-ethoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[(2,5-dimethylbenzoyl)-(4-ethoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[(2,5-dimethylbenzoyl)-(4-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=C2C(=CC=C1)SC(=N2)N(CCC[NH+](C)C)C(=O)C3=C(C=CC(=C3)C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O2S/c1-6-28-19-9-7-10-20-21(19)24-23(29-20)26(14-8-13-25(4)5)22(27)18-15-16(2)11-12-17(18)3/h7,9-12,15H,6,8,13-14H2,1-5H3/p+1