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

Systemtic Name: 3-[1,3-benzothiazol-2-yl-(3,4-dimethoxyphenyl)carbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[1,3-benzothiazol-2-yl-(3,4-dimethoxybenzoyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[1,3-benzothiazol-2-yl-[(3,4-dimethoxyphenyl)-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[1,3-benzothiazol-2-yl-(3,4-dimethoxybenzoyl)amino]propyl-dimethylazanium Traditional Name: 3-[1,3-benzothiazol-2-yl(veratroyl)amino]propyl-dimethyl-ammonium Formula: C21H26N3O3S+ MolecularWeight: 400.51444

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(C1=NC2=CC=CC=C2S1)C(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

C[NH+](C)CCCN(C1=NC2=CC=CC=C2S1)C(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H25N3O3S/c1-23(2)12-7-13-24(21-22-16-8-5-6-9-19(16)28-21)20(25)15-10-11-17(26-3)18(14-15)27-4/h5-6,8-11,14H,7,12-13H2,1-4H3/p+1