4-[(2S)-3-methyl-4-[2-(4-methylphenyl)ethynyl]-2-phenyl-chromen-2-yl]morpholin-4-ium

Systemtic Name: 4-[(2S)-3-methyl-4-[2-(4-methylphenyl)ethynyl]-2-phenyl-chromen-2-yl]morpholin-4-ium Openeye Name: 4-[(2S)-3-methyl-2-phenyl-4-[2-(p-tolyl)ethynyl]chromen-2-yl]morpholin-4-ium CAS Name: 4-[(2S)-3-methyl-4-[2-(4-methylphenyl)ethynyl]-2-phenyl-1-benzopyran-2-yl]morpholin-4-ium IUPAC Name: 4-[(2S)-3-methyl-4-[2-(4-methylphenyl)ethynyl]-2-phenylchromen-2-yl]morpholin-4-ium Traditional Name: 4-[(2S)-3-methyl-2-phenyl-4-[2-(p-tolyl)ethynyl]chromen-2-yl]morpholin-4-ium Formula: C29H28NO2+ MolecularWeight: 422.53812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C#CC2=C(C(OC3=CC=CC=C32)(C4=CC=CC=C4)[NH+]5CCOCC5)C

Isomeric SMILES

CC1=CC=C(C=C1)C#CC2=C([C@@](OC3=CC=CC=C32)(C4=CC=CC=C4)[NH+]5CCOCC5)C

InChI

InChI=1S/C29H27NO2/c1-22-12-14-24(15-13-22)16-17-26-23(2)29(25-8-4-3-5-9-25,30-18-20-31-21-19-30)32-28-11-7-6-10-27(26)28/h3-15H,18-21H2,1-2H3/p+1/t29-/m1/s1