[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-[[4-(2-pyrimidin-5-ylethynyl)phenyl]methyl]azanium

Systemtic Name: [(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-[[4-(2-pyrimidin-5-ylethynyl)phenyl]methyl]azanium Openeye Name: [(3S)-8-methoxychroman-3-yl]-[[4-(2-pyrimidin-5-ylethynyl)phenyl]methyl]ammonium CAS Name: [(3S)-8-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl]-[[4-[2-(5-pyrimidinyl)ethynyl]phenyl]methyl]ammonium IUPAC Name: [(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-[[4-(2-pyrimidin-5-ylethynyl)phenyl]methyl]azanium Traditional Name: [(3S)-8-methoxychroman-3-yl]-[4-[2-(5-pyrimidyl)ethynyl]benzyl]ammonium Formula: C23H22N3O2+ MolecularWeight: 372.43968

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OCC(C2)[NH2+]CC3=CC=C(C=C3)C#CC4=CN=CN=C4

Isomeric SMILES

COC1=CC=CC2=C1OC[C@H](C2)[NH2+]CC3=CC=C(C=C3)C#CC4=CN=CN=C4

InChI

InChI=1S/C23H21N3O2/c1-27-22-4-2-3-20-11-21(15-28-23(20)22)26-14-18-8-5-17(6-9-18)7-10-19-12-24-16-25-13-19/h2-6,8-9,12-13,16,21,26H,11,14-15H2,1H3/p+1/t21-/m0/s1