1-(1,3-benzodioxol-5-ylmethyl)-4-propylsulfonyl-piperazin-1-ium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-propylsulfonyl-piperazin-1-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-propylsulfonyl-piperazin-1-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-propylsulfonylpiperazin-1-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-propylsulfonylpiperazin-1-ium Traditional Name: 1-piperonyl-4-propylsulfonyl-piperazin-1-ium Formula: C15H23N2O4S+ MolecularWeight: 327.41912

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CC[NH+](CC1)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCS(=O)(=O)N1CC[NH+](CC1)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C15H22N2O4S/c1-2-9-22(18,19)17-7-5-16(6-8-17)11-13-3-4-14-15(10-13)21-12-20-14/h3-4,10H,2,5-9,11-12H2,1H3/p+1