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

Systemtic Name: ethyl 4-[(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxidanylidene-propan-2-yl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(1R)-1-methyl-2-[(2S)-2-methylindolin-1-yl]-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(1R)-2-keto-1-methyl-2-[(2S)-2-methylindolin-1-yl]ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C19H28N3O3+ MolecularWeight: 346.44392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)C(C)C(=O)N2C(CC3=CC=CC=C32)C

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)[C@H](C)C(=O)N2[C@H](CC3=CC=CC=C32)C

InChI

InChI=1S/C19H27N3O3/c1-4-25-19(24)21-11-9-20(10-12-21)15(3)18(23)22-14(2)13-16-7-5-6-8-17(16)22/h5-8,14-15H,4,9-13H2,1-3H3/p+1/t14-,15+/m0/s1