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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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