(3-cyanophenyl) 3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoate

Systemtic Name: (3-cyanophenyl) 3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoate Openeye Name: (3-cyanophenyl) 3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoate CAS Name: 3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzoic acid (3-cyanophenyl) ester IUPAC Name: (3-cyanophenyl) 3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoate Traditional Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoic acid (3-cyanophenyl) ester Formula: C19H20N3O4S+ MolecularWeight: 386.4448

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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=CC(=C3)C#N

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O4S/c1-21-8-10-22(11-9-21)27(24,25)18-7-3-5-16(13-18)19(23)26-17-6-2-4-15(12-17)14-20/h2-7,12-13H,8-11H2,1H3/p+1