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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C2CC[NH+](CC2)CC3=CC(=C(C(=C3)Br)O)OC

Isomeric SMILES

CC1CCN(CC1)C(=O)C2CC[NH+](CC2)CC3=CC(=C(C(=C3)Br)O)OC

InChI

InChI=1S/C20H29BrN2O3/c1-14-3-9-23(10-4-14)20(25)16-5-7-22(8-6-16)13-15-11-17(21)19(24)18(12-15)26-2/h11-12,14,16,24H,3-10,13H2,1-2H3/p+1