(1R)-1-[(2S)-butan-2-yl]-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: (1R)-1-[(2S)-butan-2-yl]-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: (1R)-6,7-diethoxy-1-[(1S)-1-methylpropyl]-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: (1R)-1-[(2S)-butan-2-yl]-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: (1R)-1-[(2S)-butan-2-yl]-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: (1R)-6,7-diethoxy-1-[(1S)-1-methylpropyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C17H28NO2+ MolecularWeight: 278.40972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1C2=CC(=C(C=C2CC[NH2+]1)OCC)OCC

Isomeric SMILES

CC[C@H](C)[C@@H]1C2=CC(=C(C=C2CC[NH2+]1)OCC)OCC

InChI

InChI=1S/C17H27NO2/c1-5-12(4)17-14-11-16(20-7-3)15(19-6-2)10-13(14)8-9-18-17/h10-12,17-18H,5-9H2,1-4H3/p+1/t12-,17+/m0/s1