1,3-benzothiazol-2-ylmethyl-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-keto-2-(veratrylamino)ethyl]-methyl-ammonium Formula: C20H24N3O3S+ MolecularWeight: 386.48786

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C20H23N3O3S/c1-23(13-20-22-15-6-4-5-7-18(15)27-20)12-19(24)21-11-14-8-9-16(25-2)17(10-14)26-3/h4-10H,11-13H2,1-3H3,(H,21,24)/p+1