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

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-piperidin-1-ium-1-yl-piperidin-1-ium Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)methyl]-4-piperidin-1-ium-1-yl-piperidin-1-ium CAS Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-(1-piperidin-1-iumyl)piperidin-1-ium IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-piperidin-1-ium-1-ylpiperidin-1-ium Traditional Name: 1-(5-bromo-2-methoxy-benzyl)-4-piperidin-1-ium-1-yl-piperidin-1-ium Formula: C18H29BrN2O+2 MolecularWeight: 369.33966

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C[NH+]2CCC(CC2)[NH+]3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C[NH+]2CCC(CC2)[NH+]3CCCCC3

InChI

InChI=1S/C18H27BrN2O/c1-22-18-6-5-16(19)13-15(18)14-20-11-7-17(8-12-20)21-9-3-2-4-10-21/h5-6,13,17H,2-4,7-12,14H2,1H3/p+2