3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)propanoyl-(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azanium

Systemtic Name: 3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)propanoyl-(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azanium Openeye Name: 3-(6-bromo-4-oxo-quinazolin-3-yl)propanoyl-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)ammonium CAS Name: [3-(6-bromo-4-oxo-3-quinazolinyl)-1-oxopropyl]-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene)ammonium IUPAC Name: 3-(6-bromo-4-oxoquinazolin-3-yl)propanoyl-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azanium Traditional Name: 3-(6-bromo-4-keto-quinazolin-3-yl)propanoyl-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)ammonium Formula: C21H21BrN3O4+ MolecularWeight: 459.31314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCC(=[NH+]C(=O)CCN3C=NC4=C(C3=O)C=C(C=C4)Br)CC2OC(=C1)O

Isomeric SMILES

CC1=C2CCC(=[NH+]C(=O)CCN3C=NC4=C(C3=O)C=C(C=C4)Br)CC2OC(=C1)O

InChI

InChI=1S/C21H20BrN3O4/c1-12-8-20(27)29-18-10-14(3-4-15(12)18)24-19(26)6-7-25-11-23-17-5-2-13(22)9-16(17)21(25)28/h2,5,8-9,11,18,27H,3-4,6-7,10H2,1H3/p+1