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

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

Systemtic Name:1-[1-[(5-bromanyl-2-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]azepan-1-ium
Openeye Name:1-[1-[(5-bromo-2-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]azepan-1-ium
CAS Name:1-[1-[(5-bromo-2-methoxyphenyl)methyl]-4-piperidin-1-iumyl]azepan-1-ium
IUPAC Name:1-[1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]azepan-1-ium
Traditional Name:1-[1-(5-bromo-2-methoxy-benzyl)piperidin-1-ium-4-yl]azepan-1-ium
Formula: C19H31BrN2O+2
MolecularWeight: 383.36624
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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C[NH+]2CCC(CC2)[NH+]3CCCCCC3


Isomeric SMILES

COC1=C(C=C(C=C1)Br)C[NH+]2CCC(CC2)[NH+]3CCCCCC3


InChI

InChI=1S/C19H29BrN2O/c1-23-19-7-6-17(20)14-16(19)15-21-12-8-18(9-13-21)22-10-4-2-3-5-11-22/h6-7,14,18H,2-5,8-13,15H2,1H3/p+2


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