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

Systemtic Name: [(1R)-1-[3-(4-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]propyl]-propyl-azanium Openeye Name: [(1R)-1-[3-(4-methoxyphenyl)-4-oxo-quinazolin-2-yl]propyl]-propyl-ammonium CAS Name: [(1R)-1-[3-(4-methoxyphenyl)-4-oxo-2-quinazolinyl]propyl]-propylammonium IUPAC Name: [(1R)-1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-propylazanium Traditional Name: [(1R)-1-[4-keto-3-(4-methoxyphenyl)quinazolin-2-yl]propyl]-propyl-ammonium Formula: C21H26N3O2+ MolecularWeight: 352.45004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O2/c1-4-14-22-18(5-2)20-23-19-9-7-6-8-17(19)21(25)24(20)15-10-12-16(26-3)13-11-15/h6-13,18,22H,4-5,14H2,1-3H3/p+1/t18-/m1/s1