[(1S)-1-[3-(4-ethylphenyl)-4-oxidanylidene-quinazolin-2-yl]ethyl]-(phenylmethyl)azanium

Systemtic Name: [(1S)-1-[3-(4-ethylphenyl)-4-oxidanylidene-quinazolin-2-yl]ethyl]-(phenylmethyl)azanium Openeye Name: benzyl-[(1S)-1-[3-(4-ethylphenyl)-4-oxo-quinazolin-2-yl]ethyl]ammonium CAS Name: [(1S)-1-[3-(4-ethylphenyl)-4-oxo-2-quinazolinyl]ethyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[(1S)-1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]azanium Traditional Name: benzyl-[(1S)-1-[3-(4-ethylphenyl)-4-keto-quinazolin-2-yl]ethyl]ammonium Formula: C25H26N3O+ MolecularWeight: 384.49344

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2C(C)[NH2+]CC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2[C@H](C)[NH2+]CC4=CC=CC=C4

InChI

InChI=1S/C25H25N3O/c1-3-19-13-15-21(16-14-19)28-24(18(2)26-17-20-9-5-4-6-10-20)27-23-12-8-7-11-22(23)25(28)29/h4-16,18,26H,3,17H2,1-2H3/p+1/t18-/m0/s1