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

Systemtic Name: (3R)-1-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: (3R)-1-[2-[(2R)-2-methylindolin-1-yl]-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-3-piperidin-1-iumcarboxylate IUPAC Name: (3R)-1-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-[2-keto-2-[(2R)-2-methylindolin-1-yl]ethyl]piperidin-1-ium-3-carboxylate Formula: C17H22N2O3 MolecularWeight: 302.36818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C(=O)C[NH+]3CCCC(C3)C(=O)[O-]

Isomeric SMILES

C[C@@H]1CC2=CC=CC=C2N1C(=O)C[NH+]3CCC[C@H](C3)C(=O)[O-]

InChI

InChI=1S/C17H22N2O3/c1-12-9-13-5-2-3-7-15(13)19(12)16(20)11-18-8-4-6-14(10-18)17(21)22/h2-3,5,7,12,14H,4,6,8-11H2,1H3,(H,21,22)/t12-,14-/m1/s1