[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[2-(2-methoxyethylsulfanyl)phenyl]methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[2-(2-methoxyethylsulfanyl)phenyl]methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[2-(2-methoxyethylsulfanyl)phenyl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-[2-(2-methoxyethylthio)phenyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[2-(2-methoxyethylsulfanyl)phenyl]methanone Traditional Name: [2-(2-methoxyethylthio)phenyl]-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C22H27N2O4S+ MolecularWeight: 415.52578

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Descriptors Computed from Structure

Canonical SMILES:

COCCSC1=CC=CC=C1C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COCCSC1=CC=CC=C1C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H26N2O4S/c1-26-12-13-29-21-5-3-2-4-18(21)22(25)24-10-8-23(9-11-24)15-17-6-7-19-20(14-17)28-16-27-19/h2-7,14H,8-13,15-16H2,1H3/p+1