2-[4-(4-methanoyl-3-methyl-phenyl)piperazin-1-ium-1-yl]ethanesulfonate

Systemtic Name: 2-[4-(4-methanoyl-3-methyl-phenyl)piperazin-1-ium-1-yl]ethanesulfonate Openeye Name: 2-[4-(4-formyl-3-methyl-phenyl)piperazin-1-ium-1-yl]ethanesulfonate CAS Name: 2-[4-(4-formyl-3-methylphenyl)-1-piperazin-1-iumyl]ethanesulfonate IUPAC Name: 2-[4-(4-formyl-3-methylphenyl)piperazin-1-ium-1-yl]ethanesulfonate Traditional Name: 2-[4-(4-formyl-3-methyl-phenyl)piperazin-1-ium-1-yl]ethanesulfonate Formula: C14H20N2O4S MolecularWeight: 312.3846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O4S/c1-12-10-14(3-2-13(12)11-17)16-6-4-15(5-7-16)8-9-21(18,19)20/h2-3,10-11H,4-9H2,1H3,(H,18,19,20)