1-[(3-bromanyl-4-methoxy-phenyl)methyl]-4-piperidin-1-ium-1-yl-piperidin-1-ium

Systemtic Name: 1-[(3-bromanyl-4-methoxy-phenyl)methyl]-4-piperidin-1-ium-1-yl-piperidin-1-ium Openeye Name: 1-[(3-bromo-4-methoxy-phenyl)methyl]-4-piperidin-1-ium-1-yl-piperidin-1-ium CAS Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-(1-piperidin-1-iumyl)piperidin-1-ium IUPAC Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-piperidin-1-ium-1-ylpiperidin-1-ium Traditional Name: 1-(3-bromo-4-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)C[NH+]2CCC(CC2)[NH+]3CCCCC3)Br

Isomeric SMILES

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

InChI

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