2-methylpropyl-[(1R)-1-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)propyl]azanium

Systemtic Name: 2-methylpropyl-[(1R)-1-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)propyl]azanium Openeye Name: isobutyl-[(1R)-1-(4-oxo-3-phenyl-quinazolin-2-yl)propyl]ammonium CAS Name: 2-methylpropyl-[(1R)-1-(4-oxo-3-phenyl-2-quinazolinyl)propyl]ammonium IUPAC Name: 2-methylpropyl-[(1R)-1-(4-oxo-3-phenylquinazolin-2-yl)propyl]azanium Traditional Name: isobutyl-[(1R)-1-(4-keto-3-phenyl-quinazolin-2-yl)propyl]ammonium Formula: C21H26N3O+ MolecularWeight: 336.45064

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3)[NH2+]CC(C)C

Isomeric SMILES

CC[C@H](C1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3)[NH2+]CC(C)C

InChI

InChI=1S/C21H25N3O/c1-4-18(22-14-15(2)3)20-23-19-13-9-8-12-17(19)21(25)24(20)16-10-6-5-7-11-16/h5-13,15,18,22H,4,14H2,1-3H3/p+1/t18-/m1/s1