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

Systemtic Name: 2-[3-azanyl-5-cyclohexyl-2-(2-hydroxyethyl)-1H-pyrazol-2-ium-4-yl]-1H-quinazolin-4-one Openeye Name: 2-[3-amino-5-cyclohexyl-2-(2-hydroxyethyl)-1H-pyrazol-2-ium-4-yl]-1H-quinazolin-4-one CAS Name: 2-[3-amino-5-cyclohexyl-2-(2-hydroxyethyl)-1H-pyrazol-2-ium-4-yl]-1H-quinazolin-4-one IUPAC Name: 2-[3-amino-5-cyclohexyl-2-(2-hydroxyethyl)-1H-pyrazol-2-ium-4-yl]-1H-quinazolin-4-one Traditional Name: 2-[3-amino-5-cyclohexyl-2-(2-hydroxyethyl)-1H-pyrazol-2-ium-4-yl]-1H-quinazolin-4-one Formula: C19H24N5O2+ MolecularWeight: 354.42616

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(C(=[N+](N2)CCO)N)C3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C1CCC(CC1)C2=C(C(=[N+](N2)CCO)N)C3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C19H23N5O2/c20-17-15(18-21-14-9-5-4-8-13(14)19(26)22-18)16(23-24(17)10-11-25)12-6-2-1-3-7-12/h4-5,8-9,12,25H,1-3,6-7,10-11H2,(H3,20,21,22,23,26)/p+1