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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-(homoveratrylamino)-2-keto-ethyl]-methyl-ammonium Formula: C21H26N3O3S+ MolecularWeight: 400.51444

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H25N3O3S/c1-24(14-21-23-16-6-4-5-7-19(16)28-21)13-20(25)22-11-10-15-8-9-17(26-2)18(12-15)27-3/h4-9,12H,10-11,13-14H2,1-3H3,(H,22,25)/p+1