2-[(2S)-3-ethanoyl-2-(3-methoxyphenyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[(2S)-3-ethanoyl-2-(3-methoxyphenyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[(2S)-3-acetyl-4-hydroxy-2-(3-methoxyphenyl)-5-oxo-2H-pyrrol-1-yl]ethyl-diisopropyl-ammonium CAS Name: 2-[(2S)-3-acetyl-4-hydroxy-2-(3-methoxyphenyl)-5-oxo-2H-pyrrol-1-yl]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[(2S)-3-acetyl-4-hydroxy-2-(3-methoxyphenyl)-5-oxo-2H-pyrrol-1-yl]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[(5S)-4-acetyl-3-hydroxy-2-keto-5-(3-methoxyphenyl)-3-pyrrolin-1-yl]ethyl-diisopropyl-ammonium Formula: C21H31N2O4+ MolecularWeight: 375.48184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCN1C(C(=C(C1=O)O)C(=O)C)C2=CC(=CC=C2)OC)C(C)C

Isomeric SMILES

CC(C)[NH+](CCN1[C@H](C(=C(C1=O)O)C(=O)C)C2=CC(=CC=C2)OC)C(C)C

InChI

InChI=1S/C21H30N2O4/c1-13(2)22(14(3)4)10-11-23-19(16-8-7-9-17(12-16)27-6)18(15(5)24)20(25)21(23)26/h7-9,12-14,19,25H,10-11H2,1-6H3/p+1/t19-/m0/s1