2-[1,3-benzothiazol-2-yl-(3,5-dimethoxyphenyl)carbonyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[1,3-benzothiazol-2-yl-(3,5-dimethoxyphenyl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[1,3-benzothiazol-2-yl-(3,5-dimethoxybenzoyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[1,3-benzothiazol-2-yl-[(3,5-dimethoxyphenyl)-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[1,3-benzothiazol-2-yl-(3,5-dimethoxybenzoyl)amino]ethyl-dimethylazanium Traditional Name: 2-[1,3-benzothiazol-2-yl-(3,5-dimethoxybenzoyl)amino]ethyl-dimethyl-ammonium Formula: C20H24N3O3S+ MolecularWeight: 386.48786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O3S/c1-22(2)9-10-23(20-21-17-7-5-6-8-18(17)27-20)19(24)14-11-15(25-3)13-16(12-14)26-4/h5-8,11-13H,9-10H2,1-4H3/p+1