2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-[4-(m-tolyl)piperazin-1-yl]ethanone CAS Name: 2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-1-[4-(3-methylphenyl)-1-piperazinyl]ethanone IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-[4-(m-tolyl)piperazino]ethanone Formula: C25H31N4OS+ MolecularWeight: 435.60484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)C[NH+]3CCC(CC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)C[NH+]3CCC(CC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H30N4OS/c1-19-5-4-6-21(17-19)28-13-15-29(16-14-28)24(30)18-27-11-9-20(10-12-27)25-26-22-7-2-3-8-23(22)31-25/h2-8,17,20H,9-16,18H2,1H3/p+1