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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OCC(C2)[NH2+]CCN3C=CC=N3

Isomeric SMILES

COC1=CC=CC2=C1OC[C@H](C2)[NH2+]CCN3C=CC=N3

InChI

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