methyl 3-piperazin-4-ium-1-ylsulfonylbenzoate

Systemtic Name: methyl 3-piperazin-4-ium-1-ylsulfonylbenzoate Openeye Name: methyl 3-piperazin-4-ium-1-ylsulfonylbenzoate CAS Name: 3-(1-piperazin-4-iumylsulfonyl)benzoic acid methyl ester IUPAC Name: methyl 3-piperazin-4-ium-1-ylsulfonylbenzoate Traditional Name: 3-piperazin-4-ium-1-ylsulfonylbenzoic acid methyl ester Formula: C12H17N2O4S+ MolecularWeight: 285.33938

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CC[NH2+]CC2

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CC[NH2+]CC2

InChI

InChI=1S/C12H16N2O4S/c1-18-12(15)10-3-2-4-11(9-10)19(16,17)14-7-5-13-6-8-14/h2-4,9,13H,5-8H2,1H3/p+1