4-[1-[(5-bromanyl-2-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]morpholin-4-ium

Systemtic Name: 4-[1-[(5-bromanyl-2-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]morpholin-4-ium Openeye Name: 4-[1-[(5-bromo-2-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]morpholin-4-ium CAS Name: 4-[1-[(5-bromo-2-methoxyphenyl)methyl]-4-piperidin-1-iumyl]morpholin-4-ium IUPAC Name: 4-[1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]morpholin-4-ium Traditional Name: 4-[1-(5-bromo-2-methoxy-benzyl)piperidin-1-ium-4-yl]morpholin-4-ium Formula: C17H27BrN2O2+2 MolecularWeight: 371.31248

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C[NH+]2CCC(CC2)[NH+]3CCOCC3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C[NH+]2CCC(CC2)[NH+]3CCOCC3

InChI

InChI=1S/C17H25BrN2O2/c1-21-17-3-2-15(18)12-14(17)13-19-6-4-16(5-7-19)20-8-10-22-11-9-20/h2-3,12,16H,4-11,13H2,1H3/p+2