(2R)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-(4-methylphenyl)sulfanyl-propan-1-one

Systemtic Name: (2R)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-(4-methylphenyl)sulfanyl-propan-1-one Openeye Name: (2R)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-(p-tolylsulfanyl)propan-1-one CAS Name: (2R)-1-[4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-2-[(4-methylphenyl)thio]-1-propanone IUPAC Name: (2R)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-(4-methylphenyl)sulfanylpropan-1-one Traditional Name: (2R)-1-(4-p-anisylpiperazin-4-ium-1-yl)-2-(p-tolylthio)propan-1-one Formula: C22H29N2O2S+ MolecularWeight: 385.54286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O2S/c1-17-4-10-21(11-5-17)27-18(2)22(25)24-14-12-23(13-15-24)16-19-6-8-20(26-3)9-7-19/h4-11,18H,12-16H2,1-3H3/p+1/t18-/m1/s1