[(1R)-1-[3-(3-chloranyl-2-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]ethyl]-pentyl-azanium

Systemtic Name: [(1R)-1-[3-(3-chloranyl-2-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]ethyl]-pentyl-azanium Openeye Name: [(1R)-1-[3-(3-chloro-2-methyl-phenyl)-4-oxo-quinazolin-2-yl]ethyl]-pentyl-ammonium CAS Name: [(1R)-1-[3-(3-chloro-2-methylphenyl)-4-oxo-2-quinazolinyl]ethyl]-pentylammonium IUPAC Name: [(1R)-1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-pentylazanium Traditional Name: amyl-[(1R)-1-[3-(3-chloro-2-methyl-phenyl)-4-keto-quinazolin-2-yl]ethyl]ammonium Formula: C22H27ClN3O+ MolecularWeight: 384.92228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClN3O/c1-4-5-8-14-24-16(3)21-25-19-12-7-6-10-17(19)22(27)26(21)20-13-9-11-18(23)15(20)2/h6-7,9-13,16,24H,4-5,8,14H2,1-3H3/p+1/t16-/m1/s1