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

Systemtic Name: [1-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Openeye Name: [1-[(3-bromo-4-hydroxy-5-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: [1-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl]-4-piperidin-1-iumyl]-(4-ethyl-1-piperazin-4-iumyl)methanone IUPAC Name: [1-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: [1-(3-bromo-4-hydroxy-5-methoxy-benzyl)piperidin-1-ium-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Formula: C20H32BrN3O3+2 MolecularWeight: 442.39038

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2CC[NH+](CC2)CC3=CC(=C(C(=C3)Br)O)OC

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2CC[NH+](CC2)CC3=CC(=C(C(=C3)Br)O)OC

InChI

InChI=1S/C20H30BrN3O3/c1-3-22-8-10-24(11-9-22)20(26)16-4-6-23(7-5-16)14-15-12-17(21)19(25)18(13-15)27-2/h12-13,16,25H,3-11,14H2,1-2H3/p+2