1,3-benzothiazol-2-ylmethyl-[2-[2-cyanoethyl-(2-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[2-[2-cyanoethyl-(2-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[2-[N-(2-cyanoethyl)-2-methoxy-anilino]-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[2-[N-(2-cyanoethyl)-2-methoxyanilino]-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[2-[N-(2-cyanoethyl)-2-methoxyanilino]-2-oxoethyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-[N-(2-cyanoethyl)-2-methoxy-anilino]-2-keto-ethyl]-methyl-ammonium Formula: C21H23N4O2S+ MolecularWeight: 395.49792

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)N(CCC#N)C3=CC=CC=C3OC

Isomeric SMILES

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)N(CCC#N)C3=CC=CC=C3OC

InChI

InChI=1S/C21H22N4O2S/c1-24(14-20-23-16-8-3-6-11-19(16)28-20)15-21(26)25(13-7-12-22)17-9-4-5-10-18(17)27-2/h3-6,8-11H,7,13-15H2,1-2H3/p+1