(2R)-2-[[(3S)-3-methylpiperidin-1-yl]sulfonylazaniumyl]-2-phenyl-ethanoate

Systemtic Name: (2R)-2-[[(3S)-3-methylpiperidin-1-yl]sulfonylazaniumyl]-2-phenyl-ethanoate Openeye Name: (2R)-2-[[(3S)-3-methyl-1-piperidyl]sulfonylammonio]-2-phenyl-acetate CAS Name: (2R)-2-[[(3S)-3-methyl-1-piperidinyl]sulfonylammonio]-2-phenylacetate IUPAC Name: (2R)-2-[[(3S)-3-methylpiperidin-1-yl]sulfonylazaniumyl]-2-phenylacetate Traditional Name: (2R)-2-[[(3S)-3-methylpiperidino]sulfonylammonio]-2-phenyl-acetate Formula: C14H20N2O4S MolecularWeight: 312.3846

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)[NH2+]C(C2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)[NH2+][C@H](C2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C14H20N2O4S/c1-11-6-5-9-16(10-11)21(19,20)15-13(14(17)18)12-7-3-2-4-8-12/h2-4,7-8,11,13,15H,5-6,9-10H2,1H3,(H,17,18)/t11-,13+/m0/s1