butyl-[(1R)-1-[3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]ethyl]azanium

Systemtic Name: butyl-[(1R)-1-[3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]ethyl]azanium Openeye Name: butyl-[(1R)-1-[3-(o-tolyl)-4-oxo-quinazolin-2-yl]ethyl]ammonium CAS Name: butyl-[(1R)-1-[3-(2-methylphenyl)-4-oxo-2-quinazolinyl]ethyl]ammonium IUPAC Name: butyl-[(1R)-1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]azanium Traditional Name: butyl-[(1R)-1-[4-keto-3-(o-tolyl)quinazolin-2-yl]ethyl]ammonium Formula: C21H26N3O+ MolecularWeight: 336.45064

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH2+]C(C)C1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3C

Isomeric SMILES

CCCC[NH2+][C@H](C)C1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3C

InChI

InChI=1S/C21H25N3O/c1-4-5-14-22-16(3)20-23-18-12-8-7-11-17(18)21(25)24(20)19-13-9-6-10-15(19)2/h6-13,16,22H,4-5,14H2,1-3H3/p+1/t16-/m1/s1