methyl 1-[(2R)-1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[(2R)-1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[(1R)-2-(1H-indol-3-yl)-1-methyl-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1R)-2-(1H-indol-3-yl)-2-keto-1-methyl-ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C18H23N2O3+ MolecularWeight: 315.38682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CNC2=CC=CC=C21)[NH+]3CCC(CC3)C(=O)OC

Isomeric SMILES

C[C@H](C(=O)C1=CNC2=CC=CC=C21)[NH+]3CCC(CC3)C(=O)OC

InChI

InChI=1S/C18H22N2O3/c1-12(20-9-7-13(8-10-20)18(22)23-2)17(21)15-11-19-16-6-4-3-5-14(15)16/h3-6,11-13,19H,7-10H2,1-2H3/p+1/t12-/m1/s1