3H-1,3-benzoxazol-2-ylidene-(7,7-dimethyl-5-oxidanylidene-spiro[6,8-dihydro-1H-quinazoline-4,1'-cyclopentane]-2-yl)azanium

Systemtic Name: 3H-1,3-benzoxazol-2-ylidene-(7,7-dimethyl-5-oxidanylidene-spiro[6,8-dihydro-1H-quinazoline-4,1'-cyclopentane]-2-yl)azanium Openeye Name: 3H-1,3-benzoxazol-2-ylidene-(7,7-dimethyl-5-oxo-spiro[6,8-dihydro-1H-quinazoline-4,1'-cyclopentane]-2-yl)ammonium CAS Name: 3H-1,3-benzoxazol-2-ylidene-(7,7-dimethyl-5-oxo-2-spiro[6,8-dihydro-1H-quinazoline-4,1'-cyclopentane]yl)ammonium IUPAC Name: 3H-1,3-benzoxazol-2-ylidene-(7,7-dimethyl-5-oxospiro[6,8-dihydro-1H-quinazoline-4,1'-cyclopentane]-2-yl)azanium Traditional Name: 3H-1,3-benzoxazol-2-ylidene-(5-keto-7,7-dimethyl-spiro[6,8-dihydro-1H-quinazoline-4,1'-cyclopentane]-2-yl)ammonium Formula: C21H25N4O2+ MolecularWeight: 365.4488

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=O)C1)C3(CCCC3)N=C(N2)[NH+]=C4NC5=CC=CC=C5O4)C

Isomeric SMILES

CC1(CC2=C(C(=O)C1)C3(CCCC3)N=C(N2)[NH+]=C4NC5=CC=CC=C5O4)C

InChI

InChI=1S/C21H24N4O2/c1-20(2)11-14-17(15(26)12-20)21(9-5-6-10-21)25-18(22-14)24-19-23-13-7-3-4-8-16(13)27-19/h3-4,7-8H,5-6,9-12H2,1-2H3,(H2,22,23,24,25)/p+1