(2S)-2-(4-methoxycarbonylpiperidin-1-ium-1-yl)-2-(5-methoxy-1H-indol-3-yl)ethanoate

Systemtic Name: (2S)-2-(4-methoxycarbonylpiperidin-1-ium-1-yl)-2-(5-methoxy-1H-indol-3-yl)ethanoate Openeye Name: (2S)-2-(4-methoxycarbonylpiperidin-1-ium-1-yl)-2-(5-methoxy-1H-indol-3-yl)acetate CAS Name: (2S)-2-(4-methoxycarbonyl-1-piperidin-1-iumyl)-2-(5-methoxy-1H-indol-3-yl)acetate IUPAC Name: (2S)-2-(4-methoxycarbonylpiperidin-1-ium-1-yl)-2-(5-methoxy-1H-indol-3-yl)acetate Traditional Name: (2S)-2-(4-carbomethoxypiperidin-1-ium-1-yl)-2-(5-methoxy-1H-indol-3-yl)acetate Formula: C18H22N2O5 MolecularWeight: 346.37768

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC=C2C(C(=O)[O-])[NH+]3CCC(CC3)C(=O)OC

Isomeric SMILES

COC1=CC2=C(C=C1)NC=C2[C@@H](C(=O)[O-])[NH+]3CCC(CC3)C(=O)OC

InChI

InChI=1S/C18H22N2O5/c1-24-12-3-4-15-13(9-12)14(10-19-15)16(17(21)22)20-7-5-11(6-8-20)18(23)25-2/h3-4,9-11,16,19H,5-8H2,1-2H3,(H,21,22)/t16-/m0/s1