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

Systemtic Name: 3-methylbutyl-[(1S)-1-[3-(3-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]ethyl]azanium Openeye Name: isopentyl-[(1S)-1-[3-(m-tolyl)-4-oxo-quinazolin-2-yl]ethyl]ammonium CAS Name: 3-methylbutyl-[(1S)-1-[3-(3-methylphenyl)-4-oxo-2-quinazolinyl]ethyl]ammonium IUPAC Name: 3-methylbutyl-[(1S)-1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]azanium Traditional Name: isoamyl-[(1S)-1-[4-keto-3-(m-tolyl)quinazolin-2-yl]ethyl]ammonium Formula: C22H28N3O+ MolecularWeight: 350.47722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O/c1-15(2)12-13-23-17(4)21-24-20-11-6-5-10-19(20)22(26)25(21)18-9-7-8-16(3)14-18/h5-11,14-15,17,23H,12-13H2,1-4H3/p+1/t17-/m0/s1