2-[2-[(3-pyrazol-1-ylazetidin-1-ium-1-yl)methyl]phenyl]-5,6,7,8-tetrahydro-1H-quinazolin-4-one

Systemtic Name: 2-[2-[(3-pyrazol-1-ylazetidin-1-ium-1-yl)methyl]phenyl]-5,6,7,8-tetrahydro-1H-quinazolin-4-one Openeye Name: 2-[2-[(3-pyrazol-1-ylazetidin-1-ium-1-yl)methyl]phenyl]-5,6,7,8-tetrahydro-1H-quinazolin-4-one CAS Name: 2-[2-[[3-(1-pyrazolyl)-1-azetidin-1-iumyl]methyl]phenyl]-5,6,7,8-tetrahydro-1H-quinazolin-4-one IUPAC Name: 2-[2-[(3-pyrazol-1-ylazetidin-1-ium-1-yl)methyl]phenyl]-5,6,7,8-tetrahydro-1H-quinazolin-4-one Traditional Name: 2-[2-[(3-pyrazol-1-ylazetidin-1-ium-1-yl)methyl]phenyl]-5,6,7,8-tetrahydro-1H-quinazolin-4-one Formula: C21H24N5O+ MolecularWeight: 362.44816

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=O)N=C(N2)C3=CC=CC=C3C[NH+]4CC(C4)N5C=CC=N5

Isomeric SMILES

C1CCC2=C(C1)C(=O)N=C(N2)C3=CC=CC=C3C[NH+]4CC(C4)N5C=CC=N5

InChI

InChI=1S/C21H23N5O/c27-21-18-8-3-4-9-19(18)23-20(24-21)17-7-2-1-6-15(17)12-25-13-16(14-25)26-11-5-10-22-26/h1-2,5-7,10-11,16H,3-4,8-9,12-14H2,(H,23,24,27)/p+1