(2S)-3-ethanoyl-2-(4-methylphenyl)-5-oxidanylidene-1-(2-piperazin-4-ium-1-ylethyl)-2H-pyrrol-4-olate

Systemtic Name: (2S)-3-ethanoyl-2-(4-methylphenyl)-5-oxidanylidene-1-(2-piperazin-4-ium-1-ylethyl)-2H-pyrrol-4-olate Openeye Name: (2S)-3-acetyl-5-oxo-1-(2-piperazin-4-ium-1-ylethyl)-2-(p-tolyl)-2H-pyrrol-4-olate CAS Name: (2S)-3-acetyl-2-(4-methylphenyl)-5-oxo-1-[2-(1-piperazin-4-iumyl)ethyl]-2H-pyrrol-4-olate IUPAC Name: (2S)-3-acetyl-2-(4-methylphenyl)-5-oxo-1-(2-piperazin-4-ium-1-ylethyl)-2H-pyrrol-4-olate Traditional Name: (5S)-4-acetyl-2-keto-1-(2-piperazin-4-ium-1-ylethyl)-5-(p-tolyl)-3-pyrrolin-3-olate Formula: C19H25N3O3 MolecularWeight: 343.4201

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(=C(C(=O)N2CCN3CC[NH2+]CC3)[O-])C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@H]2C(=C(C(=O)N2CCN3CC[NH2+]CC3)[O-])C(=O)C

InChI

InChI=1S/C19H25N3O3/c1-13-3-5-15(6-4-13)17-16(14(2)23)18(24)19(25)22(17)12-11-21-9-7-20-8-10-21/h3-6,17,20,24H,7-12H2,1-2H3/t17-/m0/s1