methyl 1-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-[(2S)-2-methylindolin-1-yl]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-keto-2-[(2S)-2-methylindolin-1-yl]ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C18H25N2O3+ MolecularWeight: 317.4027

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C(=O)C[NH+]3CCC(CC3)C(=O)OC

Isomeric SMILES

C[C@H]1CC2=CC=CC=C2N1C(=O)C[NH+]3CCC(CC3)C(=O)OC

InChI

InChI=1S/C18H24N2O3/c1-13-11-15-5-3-4-6-16(15)20(13)17(21)12-19-9-7-14(8-10-19)18(22)23-2/h3-6,13-14H,7-12H2,1-2H3/p+1/t13-/m0/s1