[(1S)-1-(4-butylphenyl)-2-methyl-propyl]-[(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium

Systemtic Name: [(1S)-1-(4-butylphenyl)-2-methyl-propyl]-[(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium Openeye Name: [(1S)-1-(4-butylphenyl)-2-methyl-propyl]-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]ammonium CAS Name: [(1S)-1-(4-butylphenyl)-2-methylpropyl]-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]ammonium IUPAC Name: [(1S)-1-(4-butylphenyl)-2-methylpropyl]-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]azanium Traditional Name: [(1S)-1-(4-butylphenyl)-2-methyl-propyl]-[(7-chloro-4-keto-1H-quinazolin-2-yl)methyl]ammonium Formula: C23H29ClN3O+ MolecularWeight: 398.94886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(C(C)C)[NH2+]CC2=NC(=O)C3=C(N2)C=C(C=C3)Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)[C@H](C(C)C)[NH2+]CC2=NC(=O)C3=C(N2)C=C(C=C3)Cl

InChI

InChI=1S/C23H28ClN3O/c1-4-5-6-16-7-9-17(10-8-16)22(15(2)3)25-14-21-26-20-13-18(24)11-12-19(20)23(28)27-21/h7-13,15,22,25H,4-6,14H2,1-3H3,(H,26,27,28)/p+1/t22-/m0/s1