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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-ethylphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-ethylphenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-ethylphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-ethylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(4-ethylphenyl)sulfonyl-4-piperonyl-piperazin-4-ium Formula: C20H25N2O4S+ MolecularWeight: 389.4885

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H24N2O4S/c1-2-16-3-6-18(7-4-16)27(23,24)22-11-9-21(10-12-22)14-17-5-8-19-20(13-17)26-15-25-19/h3-8,13H,2,9-12,14-15H2,1H3/p+1