2-[3-azanyl-5-(2-ethylbutyl)-2-(2-hydroxyethyl)-1H-pyrazol-2-ium-4-yl]-1H-quinazolin-4-one

Systemtic Name: 2-[3-azanyl-5-(2-ethylbutyl)-2-(2-hydroxyethyl)-1H-pyrazol-2-ium-4-yl]-1H-quinazolin-4-one Openeye Name: 2-[3-amino-5-(2-ethylbutyl)-2-(2-hydroxyethyl)-1H-pyrazol-2-ium-4-yl]-1H-quinazolin-4-one CAS Name: 2-[3-amino-5-(2-ethylbutyl)-2-(2-hydroxyethyl)-1H-pyrazol-2-ium-4-yl]-1H-quinazolin-4-one IUPAC Name: 2-[3-amino-5-(2-ethylbutyl)-2-(2-hydroxyethyl)-1H-pyrazol-2-ium-4-yl]-1H-quinazolin-4-one Traditional Name: 2-[3-amino-5-(2-ethylbutyl)-2-(2-hydroxyethyl)-1H-pyrazol-2-ium-4-yl]-1H-quinazolin-4-one Formula: C19H26N5O2+ MolecularWeight: 356.44204

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)CC1=C(C(=[N+](N1)CCO)N)C2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CCC(CC)CC1=C(C(=[N+](N1)CCO)N)C2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C19H25N5O2/c1-3-12(4-2)11-15-16(17(20)24(23-15)9-10-25)18-21-14-8-6-5-7-13(14)19(26)22-18/h5-8,12,25H,3-4,9-11H2,1-2H3,(H3,20,21,22,23,26)/p+1