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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-pentylphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-pentylphenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-pentylphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-pentylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(4-amylphenyl)sulfonyl-4-piperonyl-piperazin-4-ium Formula: C23H31N2O4S+ MolecularWeight: 431.56824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H30N2O4S/c1-2-3-4-5-19-6-9-21(10-7-19)30(26,27)25-14-12-24(13-15-25)17-20-8-11-22-23(16-20)29-18-28-22/h6-11,16H,2-5,12-15,17-18H2,1H3/p+1