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

Systemtic Name: [(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-[2-(1H-pyrazol-4-yl)ethyl]azanium Openeye Name: [(3S)-8-methoxychroman-3-yl]-[2-(1H-pyrazol-4-yl)ethyl]ammonium CAS Name: [(3S)-8-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl]-[2-(1H-pyrazol-4-yl)ethyl]ammonium IUPAC Name: [(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-[2-(1H-pyrazol-4-yl)ethyl]azanium Traditional Name: [(3S)-8-methoxychroman-3-yl]-[2-(1H-pyrazol-4-yl)ethyl]ammonium Formula: C15H20N3O2+ MolecularWeight: 274.3382

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OCC(C2)[NH2+]CCC3=CNN=C3

Isomeric SMILES

COC1=CC=CC2=C1OC[C@H](C2)[NH2+]CCC3=CNN=C3

InChI

InChI=1S/C15H19N3O2/c1-19-14-4-2-3-12-7-13(10-20-15(12)14)16-6-5-11-8-17-18-9-11/h2-4,8-9,13,16H,5-7,10H2,1H3,(H,17,18)/p+1/t13-/m0/s1