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

Systemtic Name: ethyl 1-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-3-oxidanylidene-propyl]-4-phenyl-piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[3-[(2S)-2-methylindolin-1-yl]-3-oxo-propyl]-4-phenyl-piperidin-1-ium-4-carboxylate CAS Name: 1-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-3-oxopropyl]-4-phenyl-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-3-oxopropyl]-4-phenylpiperidin-1-ium-4-carboxylate Traditional Name: 1-[3-keto-3-[(2S)-2-methylindolin-1-yl]propyl]-4-phenyl-piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C26H33N2O3+ MolecularWeight: 421.55182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CCC(=O)N2C(CC3=CC=CC=C32)C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CCC(=O)N2[C@H](CC3=CC=CC=C32)C)C4=CC=CC=C4

InChI

InChI=1S/C26H32N2O3/c1-3-31-25(30)26(22-10-5-4-6-11-22)14-17-27(18-15-26)16-13-24(29)28-20(2)19-21-9-7-8-12-23(21)28/h4-12,20H,3,13-19H2,1-2H3/p+1/t20-/m0/s1