[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]azanium

Systemtic Name: [(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]azanium Openeye Name: [(3R)-8-methoxychroman-3-yl]-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]ammonium CAS Name: [(3R)-8-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl]-[[4-methoxy-3-(1-pyrazolylmethyl)phenyl]methyl]ammonium IUPAC Name: [(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]azanium Traditional Name: [(3R)-8-methoxychroman-3-yl]-[4-methoxy-3-(pyrazol-1-ylmethyl)benzyl]ammonium Formula: C22H26N3O3+ MolecularWeight: 380.46014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH2+]C2CC3=C(C(=CC=C3)OC)OC2)CN4C=CC=N4

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH2+][C@@H]2CC3=C(C(=CC=C3)OC)OC2)CN4C=CC=N4

InChI

InChI=1S/C22H25N3O3/c1-26-20-8-7-16(11-18(20)14-25-10-4-9-24-25)13-23-19-12-17-5-3-6-21(27-2)22(17)28-15-19/h3-11,19,23H,12-15H2,1-2H3/p+1/t19-/m1/s1