2-[(2R)-2-(4-dimethylaminophenyl)-3-ethanoyl-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]ethyl-(2-hydroxyethyl)azanium

Systemtic Name: 2-[(2R)-2-(4-dimethylaminophenyl)-3-ethanoyl-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]ethyl-(2-hydroxyethyl)azanium Openeye Name: 2-[(2R)-3-acetyl-2-(4-dimethylaminophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]ethyl-(2-hydroxyethyl)ammonium CAS Name: 2-[(2R)-3-acetyl-2-(4-dimethylaminophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]ethyl-(2-hydroxyethyl)ammonium IUPAC Name: 2-[(2R)-3-acetyl-2-(4-dimethylaminophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]ethyl-(2-hydroxyethyl)azanium Traditional Name: 2-[(2R)-3-acetyl-2-(4-dimethylaminophenyl)-4-hydroxy-5-keto-3-pyrrolin-1-yl]ethyl-(2-hydroxyethyl)ammonium Formula: C18H26N3O4+ MolecularWeight: 348.41674

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=O)N(C1C2=CC=C(C=C2)N(C)C)CC[NH2+]CCO)O

Isomeric SMILES

CC(=O)C1=C(C(=O)N([C@@H]1C2=CC=C(C=C2)N(C)C)CC[NH2+]CCO)O

InChI

InChI=1S/C18H25N3O4/c1-12(23)15-16(13-4-6-14(7-5-13)20(2)3)21(18(25)17(15)24)10-8-19-9-11-22/h4-7,16,19,22,24H,8-11H2,1-3H3/p+1/t16-/m1/s1