(1-cyanoindolizin-2-yl)methyl-methyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium

Systemtic Name: (1-cyanoindolizin-2-yl)methyl-methyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium Openeye Name: (1-cyanoindolizin-2-yl)methyl-methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium CAS Name: (1-cyano-2-indolizinyl)methyl-methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium IUPAC Name: (1-cyanoindolizin-2-yl)methyl-methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium Traditional Name: (1-cyanoindolizin-2-yl)methyl-[(4-keto-1H-quinazolin-2-yl)methyl]-methyl-ammonium Formula: C20H18N5O+ MolecularWeight: 344.38982

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CN2C=CC=CC2=C1C#N)CC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C[NH+](CC1=CN2C=CC=CC2=C1C#N)CC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C20H17N5O/c1-24(11-14-12-25-9-5-4-8-18(25)16(14)10-21)13-19-22-17-7-3-2-6-15(17)20(26)23-19/h2-9,12H,11,13H2,1H3,(H,22,23,26)/p+1