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

Systemtic Name: [(1S)-1-[3-(4-chloranyl-2-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]ethyl]-methyl-azanium Openeye Name: [(1S)-1-[3-(4-chloro-2-methyl-phenyl)-4-oxo-quinazolin-2-yl]ethyl]-methyl-ammonium CAS Name: [(1S)-1-[3-(4-chloro-2-methylphenyl)-4-oxo-2-quinazolinyl]ethyl]-methylammonium IUPAC Name: [(1S)-1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-methylazanium Traditional Name: [(1S)-1-[3-(4-chloro-2-methyl-phenyl)-4-keto-quinazolin-2-yl]ethyl]-methyl-ammonium Formula: C18H19ClN3O+ MolecularWeight: 328.81596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)N2C(=O)C3=CC=CC=C3N=C2C(C)[NH2+]C

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)N2C(=O)C3=CC=CC=C3N=C2[C@H](C)[NH2+]C

InChI

InChI=1S/C18H18ClN3O/c1-11-10-13(19)8-9-16(11)22-17(12(2)20-3)21-15-7-5-4-6-14(15)18(22)23/h4-10,12,20H,1-3H3/p+1/t12-/m0/s1