[3-(2-azanyl-2-oxidanylidene-ethyl)-4-oxidanylidene-quinazolin-2-yl]methyl-[(S)-(4-methylphenyl)-phenyl-methyl]azanium

Systemtic Name: [3-(2-azanyl-2-oxidanylidene-ethyl)-4-oxidanylidene-quinazolin-2-yl]methyl-[(S)-(4-methylphenyl)-phenyl-methyl]azanium Openeye Name: [3-(2-amino-2-oxo-ethyl)-4-oxo-quinazolin-2-yl]methyl-[(S)-phenyl(p-tolyl)methyl]ammonium CAS Name: [3-(2-amino-2-oxoethyl)-4-oxo-2-quinazolinyl]methyl-[(S)-(4-methylphenyl)-phenylmethyl]ammonium IUPAC Name: [3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-[(S)-(4-methylphenyl)-phenylmethyl]azanium Traditional Name: [3-(2-amino-2-keto-ethyl)-4-keto-quinazolin-2-yl]methyl-[(S)-phenyl(p-tolyl)methyl]ammonium Formula: C25H25N4O2+ MolecularWeight: 413.4916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CC=C2)[NH2+]CC3=NC4=CC=CC=C4C(=O)N3CC(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C2=CC=CC=C2)[NH2+]CC3=NC4=CC=CC=C4C(=O)N3CC(=O)N

InChI

InChI=1S/C25H24N4O2/c1-17-11-13-19(14-12-17)24(18-7-3-2-4-8-18)27-15-23-28-21-10-6-5-9-20(21)25(31)29(23)16-22(26)30/h2-14,24,27H,15-16H2,1H3,(H2,26,30)/p+1/t24-/m0/s1