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

Systemtic Name: [(3R)-1-[(5-bromanyl-2-oxidanyl-phenyl)methyl]piperidin-1-ium-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Openeye Name: [(3R)-1-[(5-bromo-2-hydroxy-phenyl)methyl]piperidin-1-ium-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone CAS Name: [(3R)-1-[(5-bromo-2-hydroxyphenyl)methyl]-3-piperidin-1-iumyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone IUPAC Name: [(3R)-1-[(5-bromo-2-hydroxyphenyl)methyl]piperidin-1-ium-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Traditional Name: [(3R)-1-(5-bromo-2-hydroxy-benzyl)piperidin-1-ium-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Formula: C22H26BrN2O2+ MolecularWeight: 430.35804

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=C(C=CC(=C2)Br)O)C(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

C1C[C@H](C[NH+](C1)CC2=C(C=CC(=C2)Br)O)C(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H25BrN2O2/c23-20-7-8-21(26)19(12-20)14-24-10-3-6-18(13-24)22(27)25-11-9-16-4-1-2-5-17(16)15-25/h1-2,4-5,7-8,12,18,26H,3,6,9-11,13-15H2/p+1/t18-/m1/s1