1,3-benzothiazol-2-ylmethyl-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-keto-2-[4-(2-methoxyphenyl)piperazino]ethyl]-methyl-ammonium Formula: C22H27N4O2S+ MolecularWeight: 411.54038

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)N3CCN(CC3)C4=CC=CC=C4OC

Isomeric SMILES

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)N3CCN(CC3)C4=CC=CC=C4OC

InChI

InChI=1S/C22H26N4O2S/c1-24(15-21-23-17-7-3-6-10-20(17)29-21)16-22(27)26-13-11-25(12-14-26)18-8-4-5-9-19(18)28-2/h3-10H,11-16H2,1-2H3/p+1