[4-(2-methoxy-2-oxidanylidene-ethyl)phenyl] 3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoate

Systemtic Name: [4-(2-methoxy-2-oxidanylidene-ethyl)phenyl] 3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoate Openeye Name: [4-(2-methoxy-2-oxo-ethyl)phenyl] 3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoate CAS Name: 3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzoic acid [4-(2-methoxy-2-oxoethyl)phenyl] ester IUPAC Name: [4-(2-methoxy-2-oxoethyl)phenyl] 3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoate Traditional Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoic acid [4-(2-keto-2-methoxy-ethyl)phenyl] ester Formula: C21H25N2O6S+ MolecularWeight: 433.498

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3=CC=C(C=C3)CC(=O)OC

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3=CC=C(C=C3)CC(=O)OC

InChI

InChI=1S/C21H24N2O6S/c1-22-10-12-23(13-11-22)30(26,27)19-5-3-4-17(15-19)21(25)29-18-8-6-16(7-9-18)14-20(24)28-2/h3-9,15H,10-14H2,1-2H3/p+1