1-[(5-bromanyl-2,4-dimethoxy-phenyl)methyl]-4-piperidin-1-ium-1-yl-piperidin-1-ium

Systemtic Name: 1-[(5-bromanyl-2,4-dimethoxy-phenyl)methyl]-4-piperidin-1-ium-1-yl-piperidin-1-ium Openeye Name: 1-[(5-bromo-2,4-dimethoxy-phenyl)methyl]-4-piperidin-1-ium-1-yl-piperidin-1-ium CAS Name: 1-[(5-bromo-2,4-dimethoxyphenyl)methyl]-4-(1-piperidin-1-iumyl)piperidin-1-ium IUPAC Name: 1-[(5-bromo-2,4-dimethoxyphenyl)methyl]-4-piperidin-1-ium-1-ylpiperidin-1-ium Traditional Name: 1-(5-bromo-2,4-dimethoxy-benzyl)-4-piperidin-1-ium-1-yl-piperidin-1-ium Formula: C19H31BrN2O2+2 MolecularWeight: 399.36564

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C[NH+]2CCC(CC2)[NH+]3CCCCC3)Br)OC

Isomeric SMILES

COC1=CC(=C(C=C1C[NH+]2CCC(CC2)[NH+]3CCCCC3)Br)OC

InChI

InChI=1S/C19H29BrN2O2/c1-23-18-13-19(24-2)17(20)12-15(18)14-21-10-6-16(7-11-21)22-8-4-3-5-9-22/h12-13,16H,3-11,14H2,1-2H3/p+2