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

Systemtic Name: 2-[3-azanyl-5-butyl-2-(2-hydroxyethyl)-1H-pyrazol-2-ium-4-yl]-1H-quinazolin-4-one Openeye Name: 2-[3-amino-5-butyl-2-(2-hydroxyethyl)-1H-pyrazol-2-ium-4-yl]-1H-quinazolin-4-one CAS Name: 2-[3-amino-5-butyl-2-(2-hydroxyethyl)-1H-pyrazol-2-ium-4-yl]-1H-quinazolin-4-one IUPAC Name: 2-[3-amino-5-butyl-2-(2-hydroxyethyl)-1H-pyrazol-2-ium-4-yl]-1H-quinazolin-4-one Traditional Name: 2-[3-amino-5-butyl-2-(2-hydroxyethyl)-1H-pyrazol-2-ium-4-yl]-1H-quinazolin-4-one Formula: C17H22N5O2+ MolecularWeight: 328.38888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=[N+](N1)CCO)N)C2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CCCCC1=C(C(=[N+](N1)CCO)N)C2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C17H21N5O2/c1-2-3-7-13-14(15(18)22(21-13)9-10-23)16-19-12-8-5-4-6-11(12)17(24)20-16/h4-6,8,23H,2-3,7,9-10H2,1H3,(H3,18,19,20,21,24)/p+1