[(3R)-3,4-dihydro-2H-chromen-3-yl]-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]azanium

Systemtic Name: [(3R)-3,4-dihydro-2H-chromen-3-yl]-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]azanium Openeye Name: [(3R)-chroman-3-yl]-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]ammonium CAS Name: [(3R)-3,4-dihydro-2H-1-benzopyran-3-yl]-[(1-ethyl-5-methyl-4-pyrazolyl)methyl]ammonium IUPAC Name: [(3R)-3,4-dihydro-2H-chromen-3-yl]-[(1-ethyl-5-methylpyrazol-4-yl)methyl]azanium Traditional Name: [(3R)-chroman-3-yl]-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]ammonium Formula: C16H22N3O+ MolecularWeight: 272.36538

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)C[NH2+]C2CC3=CC=CC=C3OC2)C

Isomeric SMILES

CCN1C(=C(C=N1)C[NH2+][C@@H]2CC3=CC=CC=C3OC2)C

InChI

InChI=1S/C16H21N3O/c1-3-19-12(2)14(10-18-19)9-17-15-8-13-6-4-5-7-16(13)20-11-15/h4-7,10,15,17H,3,8-9,11H2,1-2H3/p+1/t15-/m1/s1