methyl 2-piperidin-1-ium-4-ylsulfonylbenzoate

Systemtic Name: methyl 2-piperidin-1-ium-4-ylsulfonylbenzoate Openeye Name: methyl 2-piperidin-1-ium-4-ylsulfonylbenzoate CAS Name: 2-(4-piperidin-1-iumylsulfonyl)benzoic acid methyl ester IUPAC Name: methyl 2-piperidin-1-ium-4-ylsulfonylbenzoate Traditional Name: 2-piperidin-1-ium-4-ylsulfonylbenzoic acid methyl ester Formula: C13H18NO4S+ MolecularWeight: 284.35132

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)C2CC[NH2+]CC2

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)C2CC[NH2+]CC2

InChI

InChI=1S/C13H17NO4S/c1-18-13(15)11-4-2-3-5-12(11)19(16,17)10-6-8-14-9-7-10/h2-5,10,14H,6-9H2,1H3/p+1