methyl 2-[4-(4-methylpiperazin-4-ium-1-yl)carbonylpiperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[4-(4-methylpiperazin-4-ium-1-yl)carbonylpiperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-(4-methylpiperazin-4-ium-1-carbonyl)-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-(4-methylpiperazin-4-ium-1-carbonyl)piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-(4-methylpiperazin-4-ium-1-carbonyl)piperidino]sulfonylbenzoic acid methyl ester Formula: C19H28N3O5S+ MolecularWeight: 410.50772

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C19H27N3O5S/c1-20-11-13-21(14-12-20)18(23)15-7-9-22(10-8-15)28(25,26)17-6-4-3-5-16(17)19(24)27-2/h3-6,15H,7-14H2,1-2H3/p+1