[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-[(1-phenylpyrazol-4-yl)methyl]azanium

Systemtic Name: [(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-[(1-phenylpyrazol-4-yl)methyl]azanium Openeye Name: [(3S)-8-methoxychroman-3-yl]-[(1-phenylpyrazol-4-yl)methyl]ammonium CAS Name: [(3S)-8-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl]-[(1-phenyl-4-pyrazolyl)methyl]ammonium IUPAC Name: [(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-[(1-phenylpyrazol-4-yl)methyl]azanium Traditional Name: [(3S)-8-methoxychroman-3-yl]-[(1-phenylpyrazol-4-yl)methyl]ammonium Formula: C20H22N3O2+ MolecularWeight: 336.40758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O2/c1-24-19-9-5-6-16-10-17(14-25-20(16)19)21-11-15-12-22-23(13-15)18-7-3-2-4-8-18/h2-9,12-13,17,21H,10-11,14H2,1H3/p+1/t17-/m0/s1