2-[4-[(4-isocyanatophenyl)methyl]morpholin-4-ium-4-yl]-8-phenyl-chromen-4-one

Systemtic Name: 2-[4-[(4-isocyanatophenyl)methyl]morpholin-4-ium-4-yl]-8-phenyl-chromen-4-one Openeye Name: 2-[4-[(4-isocyanatophenyl)methyl]morpholin-4-ium-4-yl]-8-phenyl-chromen-4-one CAS Name: 2-[4-[(4-isocyanatophenyl)methyl]-4-morpholin-4-iumyl]-8-phenyl-1-benzopyran-4-one IUPAC Name: 2-[4-[(4-isocyanatophenyl)methyl]morpholin-4-ium-4-yl]-8-phenylchromen-4-one Traditional Name: 2-[4-(4-isocyanatobenzyl)morpholin-4-ium-4-yl]-8-phenyl-chromone Formula: C27H23N2O4+ MolecularWeight: 439.48252

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[N+]1(CC2=CC=C(C=C2)N=C=O)C3=CC(=O)C4=C(O3)C(=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1COCC[N+]1(CC2=CC=C(C=C2)N=C=O)C3=CC(=O)C4=C(O3)C(=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H23N2O4/c30-19-28-22-11-9-20(10-12-22)18-29(13-15-32-16-14-29)26-17-25(31)24-8-4-7-23(27(24)33-26)21-5-2-1-3-6-21/h1-12,17H,13-16,18H2/q+1