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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[2-[[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[2-[[2-(3-methoxyanilino)-2-oxo-ethyl]-methyl-amino]-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-keto-2-[[2-keto-2-(m-anisidino)ethyl]-methyl-amino]ethyl]-methyl-ammonium Formula: C21H25N4O3S+ MolecularWeight: 413.5132

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)N(C)CC(=O)NC3=CC(=CC=C3)OC

Isomeric SMILES

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)N(C)CC(=O)NC3=CC(=CC=C3)OC

InChI

InChI=1S/C21H24N4O3S/c1-24(13-20-23-17-9-4-5-10-18(17)29-20)14-21(27)25(2)12-19(26)22-15-7-6-8-16(11-15)28-3/h4-11H,12-14H2,1-3H3,(H,22,26)/p+1