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

Systemtic Name: (3R)-1-[(1S)-1-(2-methyl-1H-indol-3-yl)-2-oxidanidyl-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: (3R)-1-[(1S)-1-(2-methyl-1H-indol-3-yl)-2-oxido-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[(1S)-1-(2-methyl-1H-indol-3-yl)-2-oxido-2-oxoethyl]-3-piperidin-1-iumcarboxylate IUPAC Name: (3R)-1-[(1S)-1-(2-methyl-1H-indol-3-yl)-2-oxido-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-[(1S)-2-keto-1-(2-methyl-1H-indol-3-yl)-2-oxido-ethyl]piperidin-1-ium-3-carboxylate Formula: C17H19N2O4- MolecularWeight: 315.34376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(C(=O)[O-])[NH+]3CCCC(C3)C(=O)[O-]

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)[C@@H](C(=O)[O-])[NH+]3CCC[C@H](C3)C(=O)[O-]

InChI

InChI=1S/C17H20N2O4/c1-10-14(12-6-2-3-7-13(12)18-10)15(17(22)23)19-8-4-5-11(9-19)16(20)21/h2-3,6-7,11,15,18H,4-5,8-9H2,1H3,(H,20,21)(H,22,23)/p-1/t11-,15+/m1/s1