methyl 3-[(2S)-3-(4-aminocarbonylpiperidin-1-ium-1-yl)-2-oxidanyl-propoxy]benzoate

Systemtic Name: methyl 3-[(2S)-3-(4-aminocarbonylpiperidin-1-ium-1-yl)-2-oxidanyl-propoxy]benzoate Openeye Name: methyl 3-[(2S)-3-(4-carbamoylpiperidin-1-ium-1-yl)-2-hydroxy-propoxy]benzoate CAS Name: 3-[(2S)-3-(4-carbamoyl-1-piperidin-1-iumyl)-2-hydroxypropoxy]benzoic acid methyl ester IUPAC Name: methyl 3-[(2S)-3-(4-carbamoylpiperidin-1-ium-1-yl)-2-hydroxypropoxy]benzoate Traditional Name: 3-[(2S)-3-(4-carbamoylpiperidin-1-ium-1-yl)-2-hydroxy-propoxy]benzoic acid methyl ester Formula: C17H25N2O5+ MolecularWeight: 337.3908

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)OCC(C[NH+]2CCC(CC2)C(=O)N)O

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)OC[C@H](C[NH+]2CCC(CC2)C(=O)N)O

InChI

InChI=1S/C17H24N2O5/c1-23-17(22)13-3-2-4-15(9-13)24-11-14(20)10-19-7-5-12(6-8-19)16(18)21/h2-4,9,12,14,20H,5-8,10-11H2,1H3,(H2,18,21)/p+1/t14-/m0/s1