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

Systemtic Name: 2-(3-azanyl-5-cyclohexyl-2-methyl-1H-pyrazol-2-ium-4-yl)-1H-quinazolin-4-one Openeye Name: 2-(3-amino-5-cyclohexyl-2-methyl-1H-pyrazol-2-ium-4-yl)-1H-quinazolin-4-one CAS Name: 2-(3-amino-5-cyclohexyl-2-methyl-1H-pyrazol-2-ium-4-yl)-1H-quinazolin-4-one IUPAC Name: 2-(3-amino-5-cyclohexyl-2-methyl-1H-pyrazol-2-ium-4-yl)-1H-quinazolin-4-one Traditional Name: 2-(3-amino-5-cyclohexyl-2-methyl-1H-pyrazol-2-ium-4-yl)-1H-quinazolin-4-one Formula: C18H22N5O+ MolecularWeight: 324.40018

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C(=C(N1)C2CCCCC2)C3=NC(=O)C4=CC=CC=C4N3)N

Isomeric SMILES

C[N+]1=C(C(=C(N1)C2CCCCC2)C3=NC(=O)C4=CC=CC=C4N3)N

InChI

InChI=1S/C18H21N5O/c1-23-16(19)14(15(22-23)11-7-3-2-4-8-11)17-20-13-10-6-5-9-12(13)18(24)21-17/h5-6,9-11H,2-4,7-8H2,1H3,(H3,19,20,21,22,24)/p+1