2-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]ethanone CAS Name: 2-[(4,5-dimethoxy-2-methylphenyl)methylthio]-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]ethanone Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-[(4,5-dimethoxy-2-methyl-benzyl)thio]ethanone Formula: C23H31N2O3S+ MolecularWeight: 415.56884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CSCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1CSCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)OC)OC

InChI

InChI=1S/C23H30N2O3S/c1-18-13-21(27-2)22(28-3)14-20(18)16-29-17-23(26)25-11-9-24(10-12-25)15-19-7-5-4-6-8-19/h4-8,13-14H,9-12,15-17H2,1-3H3/p+1