[(3R,4S)-3-[methyl(2-pyridin-2-ylethyl)amino]-3,4-dihydro-2H-chromen-4-yl]azanium

Systemtic Name: [(3R,4S)-3-[methyl(2-pyridin-2-ylethyl)amino]-3,4-dihydro-2H-chromen-4-yl]azanium Openeye Name: [(3R,4S)-3-[methyl-[2-(2-pyridyl)ethyl]amino]chroman-4-yl]ammonium CAS Name: [(3R,4S)-3-[methyl-[2-(2-pyridinyl)ethyl]amino]-3,4-dihydro-2H-1-benzopyran-4-yl]ammonium IUPAC Name: [(3R,4S)-3-[methyl(2-pyridin-2-ylethyl)amino]-3,4-dihydro-2H-chromen-4-yl]azanium Traditional Name: [(3R,4S)-3-[methyl-[2-(2-pyridyl)ethyl]amino]chroman-4-yl]ammonium Formula: C17H22N3O+ MolecularWeight: 284.37608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=N1)C2COC3=CC=CC=C3C2[NH3+]

Isomeric SMILES

CN(CCC1=CC=CC=N1)[C@H]2COC3=CC=CC=C3[C@@H]2[NH3+]

InChI

InChI=1S/C17H21N3O/c1-20(11-9-13-6-4-5-10-19-13)15-12-21-16-8-3-2-7-14(16)17(15)18/h2-8,10,15,17H,9,11-12,18H2,1H3/p+1/t15-,17-/m0/s1