(2S)-2-[methyl-(1-methylpiperidin-1-ium-4-yl)azaniumyl]-2-phenyl-ethanoate

Systemtic Name: (2S)-2-[methyl-(1-methylpiperidin-1-ium-4-yl)azaniumyl]-2-phenyl-ethanoate Openeye Name: (2S)-2-[methyl-(1-methylpiperidin-1-ium-4-yl)ammonio]-2-phenyl-acetate CAS Name: (2S)-2-[methyl-(1-methyl-4-piperidin-1-iumyl)ammonio]-2-phenylacetate IUPAC Name: (2S)-2-[methyl-(1-methylpiperidin-1-ium-4-yl)azaniumyl]-2-phenylacetate Traditional Name: (2S)-2-[methyl-(1-methylpiperidin-1-ium-4-yl)ammonio]-2-phenyl-acetate Formula: C15H23N2O2+ MolecularWeight: 263.35532

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+](C)C(C2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+](C)[C@@H](C2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C15H22N2O2/c1-16-10-8-13(9-11-16)17(2)14(15(18)19)12-6-4-3-5-7-12/h3-7,13-14H,8-11H2,1-2H3,(H,18,19)/p+1/t14-/m0/s1