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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OCC(C2)[NH2+]CC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

COC1=CC=CC2=C1OC[C@H](C2)[NH2+]CC3=CC=C(C=C3)N4C=CC=N4

InChI

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