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

Systemtic Name: [(1S)-1-[3-(4-ethylphenyl)-4-oxidanylidene-quinazolin-2-yl]ethyl]-(3-methylbutyl)azanium Openeye Name: [(1S)-1-[3-(4-ethylphenyl)-4-oxo-quinazolin-2-yl]ethyl]-isopentyl-ammonium CAS Name: [(1S)-1-[3-(4-ethylphenyl)-4-oxo-2-quinazolinyl]ethyl]-(3-methylbutyl)ammonium IUPAC Name: [(1S)-1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-(3-methylbutyl)azanium Traditional Name: [(1S)-1-[3-(4-ethylphenyl)-4-keto-quinazolin-2-yl]ethyl]-isoamyl-ammonium Formula: C23H30N3O+ MolecularWeight: 364.5038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O/c1-5-18-10-12-19(13-11-18)26-22(17(4)24-15-14-16(2)3)25-21-9-7-6-8-20(21)23(26)27/h6-13,16-17,24H,5,14-15H2,1-4H3/p+1/t17-/m0/s1