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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-propylphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-propylphenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-propylphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-propylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-piperonyl-4-(4-propylphenyl)sulfonyl-piperazin-1-ium Formula: C21H27N2O4S+ MolecularWeight: 403.51508

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H26N2O4S/c1-2-3-17-4-7-19(8-5-17)28(24,25)23-12-10-22(11-13-23)15-18-6-9-20-21(14-18)27-16-26-20/h4-9,14H,2-3,10-13,15-16H2,1H3/p+1