[1-(4-ethenylphenyl)sulfonyl-3-oxidanylidene-4-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazin-1-ium-1-yl] ethanoate

Systemtic Name: [1-(4-ethenylphenyl)sulfonyl-3-oxidanylidene-4-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazin-1-ium-1-yl] ethanoate Openeye Name: [3-oxo-4-[[1-(4-pyridyl)-4-piperidyl]methyl]-1-(4-vinylphenyl)sulfonyl-piperazin-1-ium-1-yl] acetate CAS Name: acetic acid [1-(4-ethenylphenyl)sulfonyl-3-oxo-4-[(1-pyridin-4-yl-4-piperidinyl)methyl]-1-piperazin-1-iumyl] ester IUPAC Name: [1-(4-ethenylphenyl)sulfonyl-3-oxo-4-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazin-1-ium-1-yl] acetate Traditional Name: acetic acid [3-keto-4-[[1-(4-pyridyl)-4-piperidyl]methyl]-1-(4-vinylphenyl)sulfonyl-piperazin-1-ium-1-yl] ester Formula: C25H31N4O5S+ MolecularWeight: 499.60244

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O[N+]1(CCN(C(=O)C1)CC2CCN(CC2)C3=CC=NC=C3)S(=O)(=O)C4=CC=C(C=C4)C=C

Isomeric SMILES

CC(=O)O[N+]1(CCN(C(=O)C1)CC2CCN(CC2)C3=CC=NC=C3)S(=O)(=O)C4=CC=C(C=C4)C=C

InChI

InChI=1S/C25H31N4O5S/c1-3-21-4-6-24(7-5-21)35(32,33)29(34-20(2)30)17-16-28(25(31)19-29)18-22-10-14-27(15-11-22)23-8-12-26-13-9-23/h3-9,12-13,22H,1,10-11,14-19H2,2H3/q+1