[(5S)-5-cyano-4-oxidanylidene-5-(4-oxidanylidene-1H-quinazolin-2-yl)pentyl]-phenethyl-azanium

Systemtic Name: [(5S)-5-cyano-4-oxidanylidene-5-(4-oxidanylidene-1H-quinazolin-2-yl)pentyl]-phenethyl-azanium Openeye Name: [(5S)-5-cyano-4-oxo-5-(4-oxo-1H-quinazolin-2-yl)pentyl]-phenethyl-ammonium CAS Name: [(5S)-5-cyano-4-oxo-5-(4-oxo-1H-quinazolin-2-yl)pentyl]-phenethylammonium IUPAC Name: [(5S)-5-cyano-4-oxo-5-(4-oxo-1H-quinazolin-2-yl)pentyl]-phenethylazanium Traditional Name: [(5S)-5-cyano-4-keto-5-(4-keto-1H-quinazolin-2-yl)pentyl]-phenethyl-ammonium Formula: C22H23N4O2+ MolecularWeight: 375.44362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC[NH2+]CCCC(=O)C(C#N)C2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

C1=CC=C(C=C1)CC[NH2+]CCCC(=O)[C@@H](C#N)C2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C22H22N4O2/c23-15-18(21-25-19-10-5-4-9-17(19)22(28)26-21)20(27)11-6-13-24-14-12-16-7-2-1-3-8-16/h1-5,7-10,18,24H,6,11-14H2,(H,25,26,28)/p+1/t18-/m1/s1