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

Systemtic Name: dimethyl-[(2S)-2-[3-(3-methyl-4-oxidanylidene-quinazolin-2-yl)propanoylamino]-2-phenyl-ethyl]azanium Openeye Name: dimethyl-[(2S)-2-[3-(3-methyl-4-oxo-quinazolin-2-yl)propanoylamino]-2-phenyl-ethyl]ammonium CAS Name: dimethyl-[(2S)-2-[[3-(3-methyl-4-oxo-2-quinazolinyl)-1-oxopropyl]amino]-2-phenylethyl]ammonium IUPAC Name: dimethyl-[(2S)-2-[3-(3-methyl-4-oxoquinazolin-2-yl)propanoylamino]-2-phenylethyl]azanium Traditional Name: [(2S)-2-[3-(4-keto-3-methyl-quinazolin-2-yl)propanoylamino]-2-phenyl-ethyl]-dimethyl-ammonium Formula: C22H27N4O2+ MolecularWeight: 379.47538

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=CC=CC=C2C1=O)CCC(=O)NC(C[NH+](C)C)C3=CC=CC=C3

Isomeric SMILES

CN1C(=NC2=CC=CC=C2C1=O)CCC(=O)N[C@H](C[NH+](C)C)C3=CC=CC=C3

InChI

InChI=1S/C22H26N4O2/c1-25(2)15-19(16-9-5-4-6-10-16)24-21(27)14-13-20-23-18-12-8-7-11-17(18)22(28)26(20)3/h4-12,19H,13-15H2,1-3H3,(H,24,27)/p+1/t19-/m1/s1