2-[[(3-azanyl-3-oxidanylidene-propyl)-(phenylmethyl)azaniumyl]methyl]-7-chloranyl-quinazolin-4-olate

Systemtic Name: 2-[[(3-azanyl-3-oxidanylidene-propyl)-(phenylmethyl)azaniumyl]methyl]-7-chloranyl-quinazolin-4-olate Openeye Name: 2-[[(3-amino-3-oxo-propyl)-benzyl-ammonio]methyl]-7-chloro-quinazolin-4-olate CAS Name: 2-[[(3-amino-3-oxopropyl)-(phenylmethyl)ammonio]methyl]-7-chloro-4-quinazolinolate IUPAC Name: 2-[[(3-amino-3-oxopropyl)-benzylazaniumyl]methyl]-7-chloroquinazolin-4-olate Traditional Name: 2-[[(3-amino-3-keto-propyl)-benzyl-ammonio]methyl]-7-chloro-quinazolin-4-olate Formula: C19H19ClN4O2 MolecularWeight: 370.83276

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[NH+](CCC(=O)N)CC2=NC3=C(C=CC(=C3)Cl)C(=N2)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C[NH+](CCC(=O)N)CC2=NC3=C(C=CC(=C3)Cl)C(=N2)[O-]

InChI

InChI=1S/C19H19ClN4O2/c20-14-6-7-15-16(10-14)22-18(23-19(15)26)12-24(9-8-17(21)25)11-13-4-2-1-3-5-13/h1-7,10H,8-9,11-12H2,(H2,21,25)(H,22,23,26)