2-[4-(4-methanoyl-2,6-dimethyl-phenyl)piperazin-1-ium-1-yl]ethanesulfonate

Systemtic Name: 2-[4-(4-methanoyl-2,6-dimethyl-phenyl)piperazin-1-ium-1-yl]ethanesulfonate Openeye Name: 2-[4-(4-formyl-2,6-dimethyl-phenyl)piperazin-1-ium-1-yl]ethanesulfonate CAS Name: 2-[4-(4-formyl-2,6-dimethylphenyl)-1-piperazin-1-iumyl]ethanesulfonate IUPAC Name: 2-[4-(4-formyl-2,6-dimethylphenyl)piperazin-1-ium-1-yl]ethanesulfonate Traditional Name: 2-[4-(4-formyl-2,6-dimethyl-phenyl)piperazin-1-ium-1-yl]ethanesulfonate Formula: C15H22N2O4S MolecularWeight: 326.41118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1N2CC[NH+](CC2)CCS(=O)(=O)[O-])C)C=O

Isomeric SMILES

CC1=CC(=CC(=C1N2CC[NH+](CC2)CCS(=O)(=O)[O-])C)C=O

InChI

InChI=1S/C15H22N2O4S/c1-12-9-14(11-18)10-13(2)15(12)17-5-3-16(4-6-17)7-8-22(19,20)21/h9-11H,3-8H2,1-2H3,(H,19,20,21)