(3,5-dimethyl-1-propan-2-yl-pyrazol-4-yl)methyl-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]azanium

Systemtic Name: (3,5-dimethyl-1-propan-2-yl-pyrazol-4-yl)methyl-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]azanium Openeye Name: (1-isopropyl-3,5-dimethyl-pyrazol-4-yl)methyl-[(3S)-8-methoxychroman-3-yl]ammonium CAS Name: (3,5-dimethyl-1-propan-2-yl-4-pyrazolyl)methyl-[(3S)-8-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl]ammonium IUPAC Name: (3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]azanium Traditional Name: (1-isopropyl-3,5-dimethyl-pyrazol-4-yl)methyl-[(3S)-8-methoxychroman-3-yl]ammonium Formula: C19H28N3O2+ MolecularWeight: 330.44452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(C)C)C)C[NH2+]C2CC3=C(C(=CC=C3)OC)OC2

Isomeric SMILES

CC1=C(C(=NN1C(C)C)C)C[NH2+][C@H]2CC3=C(C(=CC=C3)OC)OC2

InChI

InChI=1S/C19H27N3O2/c1-12(2)22-14(4)17(13(3)21-22)10-20-16-9-15-7-6-8-18(23-5)19(15)24-11-16/h6-8,12,16,20H,9-11H2,1-5H3/p+1/t16-/m0/s1