3-methylbutyl-[(1R)-1-(3-naphthalen-2-yl-4-oxidanylidene-quinazolin-2-yl)ethyl]azanium

Systemtic Name: 3-methylbutyl-[(1R)-1-(3-naphthalen-2-yl-4-oxidanylidene-quinazolin-2-yl)ethyl]azanium Openeye Name: isopentyl-[(1R)-1-[3-(2-naphthyl)-4-oxo-quinazolin-2-yl]ethyl]ammonium CAS Name: 3-methylbutyl-[(1R)-1-[3-(2-naphthalenyl)-4-oxo-2-quinazolinyl]ethyl]ammonium IUPAC Name: 3-methylbutyl-[(1R)-1-(3-naphthalen-2-yl-4-oxoquinazolin-2-yl)ethyl]azanium Traditional Name: isoamyl-[(1R)-1-[4-keto-3-(2-naphthyl)quinazolin-2-yl]ethyl]ammonium Formula: C25H28N3O+ MolecularWeight: 386.50932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[NH2+]C(C)C1=NC2=CC=CC=C2C(=O)N1C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C[C@H](C1=NC2=CC=CC=C2C(=O)N1C3=CC4=CC=CC=C4C=C3)[NH2+]CCC(C)C

InChI

InChI=1S/C25H27N3O/c1-17(2)14-15-26-18(3)24-27-23-11-7-6-10-22(23)25(29)28(24)21-13-12-19-8-4-5-9-20(19)16-21/h4-13,16-18,26H,14-15H2,1-3H3/p+1/t18-/m1/s1