1-[(1S)-1-(5-methoxy-1H-indol-3-yl)-2-oxidanidyl-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[(1S)-1-(5-methoxy-1H-indol-3-yl)-2-oxidanidyl-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[(1S)-1-(5-methoxy-1H-indol-3-yl)-2-oxido-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(1S)-1-(5-methoxy-1H-indol-3-yl)-2-oxido-2-oxoethyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[(1S)-1-(5-methoxy-1H-indol-3-yl)-2-oxido-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1S)-2-keto-1-(5-methoxy-1H-indol-3-yl)-2-oxido-ethyl]piperidin-1-ium-4-carboxylate Formula: C17H19N2O5- MolecularWeight: 331.34316

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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)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O5/c1-24-11-2-3-14-12(8-11)13(9-18-14)15(17(22)23)19-6-4-10(5-7-19)16(20)21/h2-3,8-10,15,18H,4-7H2,1H3,(H,20,21)(H,22,23)/p-1/t15-/m0/s1