3-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]propanoate

Systemtic Name: 3-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]propanoate Openeye Name: 3-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]propanoate CAS Name: 3-[4-[(4-ethyl-1-piperazin-4-iumyl)sulfonyl]phenyl]propanoate IUPAC Name: 3-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]propanoate Traditional Name: 3-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]propionate Formula: C15H22N2O4S MolecularWeight: 326.41118

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)[O-]

InChI

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