2-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]sulfanyl-N-(4-methylphenyl)ethanamide

Systemtic Name: 2-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]sulfanyl-N-(4-methylphenyl)ethanamide Openeye Name: 2-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]sulfanyl-N-(p-tolyl)acetamide CAS Name: 2-[[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]thio]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide Traditional Name: 2-[[2-keto-2-(4-piperonylpiperazin-4-ium-1-yl)ethyl]thio]-N-(p-tolyl)acetamide Formula: C23H28N3O4S+ MolecularWeight: 442.55112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O4S/c1-17-2-5-19(6-3-17)24-22(27)14-31-15-23(28)26-10-8-25(9-11-26)13-18-4-7-20-21(12-18)30-16-29-20/h2-7,12H,8-11,13-16H2,1H3,(H,24,27)/p+1