2-methylpropyl-[(1R)-1-[4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]ethyl]azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH2+]C(C)C1=NC2=CC=CC=C2C(=O)N1CC3=CC=CC=C3

Isomeric SMILES

C[C@H](C1=NC2=CC=CC=C2C(=O)N1CC3=CC=CC=C3)[NH2+]CC(C)C

InChI

InChI=1S/C21H25N3O/c1-15(2)13-22-16(3)20-23-19-12-8-7-11-18(19)21(25)24(20)14-17-9-5-4-6-10-17/h4-12,15-16,22H,13-14H2,1-3H3/p+1/t16-/m1/s1