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

Systemtic Name: (3R)-1-[(1S)-1-(5-methoxy-1H-indol-3-yl)-2-oxidanidyl-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: (3R)-1-[(1S)-1-(5-methoxy-1H-indol-3-yl)-2-oxido-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[(1S)-1-(5-methoxy-1H-indol-3-yl)-2-oxido-2-oxoethyl]-3-piperidin-1-iumcarboxylate IUPAC Name: (3R)-1-[(1S)-1-(5-methoxy-1H-indol-3-yl)-2-oxido-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-[(1S)-2-keto-1-(5-methoxy-1H-indol-3-yl)-2-oxido-ethyl]piperidin-1-ium-3-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+]3CCCC(C3)C(=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)NC=C2[C@@H](C(=O)[O-])[NH+]3CCC[C@H](C3)C(=O)[O-]

InChI

InChI=1S/C17H20N2O5/c1-24-11-4-5-14-12(7-11)13(8-18-14)15(17(22)23)19-6-2-3-10(9-19)16(20)21/h4-5,7-8,10,15,18H,2-3,6,9H2,1H3,(H,20,21)(H,22,23)/p-1/t10-,15+/m1/s1