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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[2-[4-(3-chlorophenyl)-1-piperazinyl]-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-[4-(3-chlorophenyl)piperazino]-2-keto-ethyl]-methyl-ammonium Formula: C21H24ClN4OS+ MolecularWeight: 415.95946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN4OS/c1-24(14-20-23-18-7-2-3-8-19(18)28-20)15-21(27)26-11-9-25(10-12-26)17-6-4-5-16(22)13-17/h2-8,13H,9-12,14-15H2,1H3/p+1