3-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]propanoate

Systemtic Name: 3-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]propanoate Openeye Name: 3-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]propanoate CAS Name: 3-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]propanoate IUPAC Name: 3-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]propanoate Traditional Name: 3-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]propionate Formula: C15H22N2O4S MolecularWeight: 326.41118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCC(=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCC(=O)[O-])C

InChI

InChI=1S/C15H22N2O4S/c1-12-3-4-14(11-13(12)2)22(20,21)17-9-7-16(8-10-17)6-5-15(18)19/h3-4,11H,5-10H2,1-2H3,(H,18,19)