2-[4-(4-methanoylphenyl)piperazin-1-ium-1-yl]ethanesulfonate

Systemtic Name: 2-[4-(4-methanoylphenyl)piperazin-1-ium-1-yl]ethanesulfonate Openeye Name: 2-[4-(4-formylphenyl)piperazin-1-ium-1-yl]ethanesulfonate CAS Name: 2-[4-(4-formylphenyl)-1-piperazin-1-iumyl]ethanesulfonate IUPAC Name: 2-[4-(4-formylphenyl)piperazin-1-ium-1-yl]ethanesulfonate Traditional Name: 2-[4-(4-formylphenyl)piperazin-1-ium-1-yl]ethanesulfonate Formula: C13H18N2O4S MolecularWeight: 298.35802

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCS(=O)(=O)[O-])C2=CC=C(C=C2)C=O

Isomeric SMILES

C1CN(CC[NH+]1CCS(=O)(=O)[O-])C2=CC=C(C=C2)C=O

InChI

InChI=1S/C13H18N2O4S/c16-11-12-1-3-13(4-2-12)15-7-5-14(6-8-15)9-10-20(17,18)19/h1-4,11H,5-10H2,(H,17,18,19)