3-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]propane-1-sulfonate

Systemtic Name: 3-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]propane-1-sulfonate Openeye Name: 3-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]propane-1-sulfonate CAS Name: 3-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]-1-propanesulfonate IUPAC Name: 3-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]propane-1-sulfonate Traditional Name: 3-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]propane-1-sulfonate Formula: C15H24N2O3S MolecularWeight: 312.42766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CCCS(=O)(=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CCCS(=O)(=O)[O-])C

InChI

InChI=1S/C15H24N2O3S/c1-13-5-3-6-15(14(13)2)17-10-8-16(9-11-17)7-4-12-21(18,19)20/h3,5-6H,4,7-12H2,1-2H3,(H,18,19,20)