2-(3-azanyl-5-phenethyl-1H-pyrazol-4-yl)-1H-quinazolin-3-ium-4-one

Systemtic Name: 2-(3-azanyl-5-phenethyl-1H-pyrazol-4-yl)-1H-quinazolin-3-ium-4-one Openeye Name: 2-(3-amino-5-phenethyl-1H-pyrazol-4-yl)-1H-quinazolin-3-ium-4-one CAS Name: 2-(3-amino-5-phenethyl-1H-pyrazol-4-yl)-1H-quinazolin-3-ium-4-one IUPAC Name: 2-(3-amino-5-phenethyl-1H-pyrazol-4-yl)-1H-quinazolin-3-ium-4-one Traditional Name: 2-(3-amino-5-phenethyl-1H-pyrazol-4-yl)-1H-quinazolin-3-ium-4-one Formula: C19H18N5O+ MolecularWeight: 332.37912

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=C(C(=NN2)N)C3=[NH+]C(=O)C4=CC=CC=C4N3

Isomeric SMILES

C1=CC=C(C=C1)CCC2=C(C(=NN2)N)C3=[NH+]C(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C19H17N5O/c20-17-16(15(23-24-17)11-10-12-6-2-1-3-7-12)18-21-14-9-5-4-8-13(14)19(25)22-18/h1-9H,10-11H2,(H3,20,23,24)(H,21,22,25)/p+1