ethyl 4-[(1R)-2-(1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(1R)-2-(1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenyl-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(1R)-2-(1H-indol-3-yl)-2-keto-1-phenyl-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C23H26N3O3+ MolecularWeight: 392.47084

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)C(C2=CC=CC=C2)C(=O)C3=CNC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)[C@H](C2=CC=CC=C2)C(=O)C3=CNC4=CC=CC=C43

InChI

InChI=1S/C23H25N3O3/c1-2-29-23(28)26-14-12-25(13-15-26)21(17-8-4-3-5-9-17)22(27)19-16-24-20-11-7-6-10-18(19)20/h3-11,16,21,24H,2,12-15H2,1H3/p+1/t21-/m1/s1