[1-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]-[(3R)-3-methylpiperidin-1-yl]methanone

Systemtic Name: [1-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]-[(3R)-3-methylpiperidin-1-yl]methanone Openeye Name: [1-[(3-bromo-4-hydroxy-5-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]-[(3R)-3-methyl-1-piperidyl]methanone CAS Name: [1-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl]-4-piperidin-1-iumyl]-[(3R)-3-methyl-1-piperidinyl]methanone IUPAC Name: [1-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-[(3R)-3-methylpiperidin-1-yl]methanone Traditional Name: [1-(3-bromo-4-hydroxy-5-methoxy-benzyl)piperidin-1-ium-4-yl]-[(3R)-3-methylpiperidino]methanone Formula: C20H30BrN2O3+ MolecularWeight: 426.3678

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)C2CC[NH+](CC2)CC3=CC(=C(C(=C3)Br)O)OC

Isomeric SMILES

C[C@@H]1CCCN(C1)C(=O)C2CC[NH+](CC2)CC3=CC(=C(C(=C3)Br)O)OC

InChI

InChI=1S/C20H29BrN2O3/c1-14-4-3-7-23(12-14)20(25)16-5-8-22(9-6-16)13-15-10-17(21)19(24)18(11-15)26-2/h10-11,14,16,24H,3-9,12-13H2,1-2H3/p+1/t14-/m1/s1