[(1S)-1-[3-(3-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]ethyl]-phenethyl-azanium

Systemtic Name: [(1S)-1-[3-(3-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]ethyl]-phenethyl-azanium Openeye Name: [(1S)-1-[3-(m-tolyl)-4-oxo-quinazolin-2-yl]ethyl]-phenethyl-ammonium CAS Name: [(1S)-1-[3-(3-methylphenyl)-4-oxo-2-quinazolinyl]ethyl]-phenethylammonium IUPAC Name: [(1S)-1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-phenethylazanium Traditional Name: [(1S)-1-[4-keto-3-(m-tolyl)quinazolin-2-yl]ethyl]-phenethyl-ammonium Formula: C25H26N3O+ MolecularWeight: 384.49344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C3=CC=CC=C3N=C2C(C)[NH2+]CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)C3=CC=CC=C3N=C2[C@H](C)[NH2+]CCC4=CC=CC=C4

InChI

InChI=1S/C25H25N3O/c1-18-9-8-12-21(17-18)28-24(27-23-14-7-6-13-22(23)25(28)29)19(2)26-16-15-20-10-4-3-5-11-20/h3-14,17,19,26H,15-16H2,1-2H3/p+1/t19-/m0/s1