[(3R)-1-[(5-bromanyl-2-methoxy-phenyl)methyl]piperidin-1-ium-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone

Systemtic Name: [(3R)-1-[(5-bromanyl-2-methoxy-phenyl)methyl]piperidin-1-ium-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Openeye Name: [(3R)-1-[(5-bromo-2-methoxy-phenyl)methyl]piperidin-1-ium-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone CAS Name: [(3R)-1-[(5-bromo-2-methoxyphenyl)methyl]-3-piperidin-1-iumyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone IUPAC Name: [(3R)-1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-1-ium-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Traditional Name: [(3R)-1-(5-bromo-2-methoxy-benzyl)piperidin-1-ium-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Formula: C23H28BrN2O2+ MolecularWeight: 444.38462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C[NH+]2CCCC(C2)C(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C[NH+]2CCC[C@H](C2)C(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C23H27BrN2O2/c1-28-22-9-8-21(24)13-20(22)15-25-11-4-7-19(14-25)23(27)26-12-10-17-5-2-3-6-18(17)16-26/h2-3,5-6,8-9,13,19H,4,7,10-12,14-16H2,1H3/p+1/t19-/m1/s1