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

Systemtic Name: [(1R)-1-[3-(3-chloranyl-2-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]ethyl]-hexyl-azanium Openeye Name: [(1R)-1-[3-(3-chloro-2-methyl-phenyl)-4-oxo-quinazolin-2-yl]ethyl]-hexyl-ammonium CAS Name: [(1R)-1-[3-(3-chloro-2-methylphenyl)-4-oxo-2-quinazolinyl]ethyl]-hexylammonium IUPAC Name: [(1R)-1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-hexylazanium Traditional Name: [(1R)-1-[3-(3-chloro-2-methyl-phenyl)-4-keto-quinazolin-2-yl]ethyl]-hexyl-ammonium Formula: C23H29ClN3O+ MolecularWeight: 398.94886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28ClN3O/c1-4-5-6-9-15-25-17(3)22-26-20-13-8-7-11-18(20)23(28)27(22)21-14-10-12-19(24)16(21)2/h7-8,10-14,17,25H,4-6,9,15H2,1-3H3/p+1/t17-/m1/s1