3-(4-methylphenyl)sulfonyl-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-1-one

Systemtic Name: 3-(4-methylphenyl)sulfonyl-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-1-one Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-(p-tolylsulfonyl)propan-1-one CAS Name: 3-(4-methylphenyl)sulfonyl-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-(4-methylphenyl)sulfonylpropan-1-one Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-tosyl-propan-1-one Formula: C21H27N2O3S+ MolecularWeight: 387.51568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O3S/c1-18-7-9-20(10-8-18)27(25,26)16-11-21(24)23-14-12-22(13-15-23)17-19-5-3-2-4-6-19/h2-10H,11-17H2,1H3/p+1