(2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-(4-methylphenyl)sulfanyl-propan-1-one

Systemtic Name: (2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-(4-methylphenyl)sulfanyl-propan-1-one Openeye Name: (2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-(p-tolylsulfanyl)propan-1-one CAS Name: (2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-2-[(4-methylphenyl)thio]-1-propanone IUPAC Name: (2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-(4-methylphenyl)sulfanylpropan-1-one Traditional Name: (2R)-1-(4-piperonylpiperazin-4-ium-1-yl)-2-(p-tolylthio)propan-1-one Formula: C22H27N2O3S+ MolecularWeight: 399.52638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(C)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)S[C@H](C)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H26N2O3S/c1-16-3-6-19(7-4-16)28-17(2)22(25)24-11-9-23(10-12-24)14-18-5-8-20-21(13-18)27-15-26-20/h3-8,13,17H,9-12,14-15H2,1-2H3/p+1/t17-/m1/s1