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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(3-methylphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(m-tolylsulfonyl)piperazin-1-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(3-methylphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(3-methylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(m-tolylsulfonyl)-4-piperonyl-piperazin-4-ium Formula: C19H23N2O4S+ MolecularWeight: 375.46192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H22N2O4S/c1-15-3-2-4-17(11-15)26(22,23)21-9-7-20(8-10-21)13-16-5-6-18-19(12-16)25-14-24-18/h2-6,11-12H,7-10,13-14H2,1H3/p+1