dimethyl-[(1S)-2-[3-(4-oxidanylidene-1H-quinazolin-2-yl)propanoylamino]-1-phenyl-ethyl]azanium

Systemtic Name: dimethyl-[(1S)-2-[3-(4-oxidanylidene-1H-quinazolin-2-yl)propanoylamino]-1-phenyl-ethyl]azanium Openeye Name: dimethyl-[(1S)-2-[3-(4-oxo-1H-quinazolin-2-yl)propanoylamino]-1-phenyl-ethyl]ammonium CAS Name: dimethyl-[(1S)-2-[[1-oxo-3-(4-oxo-1H-quinazolin-2-yl)propyl]amino]-1-phenylethyl]ammonium IUPAC Name: dimethyl-[(1S)-2-[3-(4-oxo-1H-quinazolin-2-yl)propanoylamino]-1-phenylethyl]azanium Traditional Name: [(1S)-2-[3-(4-keto-1H-quinazolin-2-yl)propanoylamino]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C21H25N4O2+ MolecularWeight: 365.4488

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)CCC1=NC(=O)C2=CC=CC=C2N1)C3=CC=CC=C3

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)CCC1=NC(=O)C2=CC=CC=C2N1)C3=CC=CC=C3

InChI

InChI=1S/C21H24N4O2/c1-25(2)18(15-8-4-3-5-9-15)14-22-20(26)13-12-19-23-17-11-7-6-10-16(17)21(27)24-19/h3-11,18H,12-14H2,1-2H3,(H,22,26)(H,23,24,27)/p+1/t18-/m1/s1