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

Systemtic Name: 1-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]-4-piperidin-1-ium-1-yl-piperidin-1-ium Openeye Name: 1-[(3-benzyloxy-4-methoxy-phenyl)methyl]-4-piperidin-1-ium-1-yl-piperidin-1-ium CAS Name: 1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-(1-piperidin-1-iumyl)piperidin-1-ium IUPAC Name: 1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-piperidin-1-ium-1-ylpiperidin-1-ium Traditional Name: 1-(3-benzoxy-4-methoxy-benzyl)-4-piperidin-1-ium-1-yl-piperidin-1-ium Formula: C25H36N2O2+2 MolecularWeight: 396.56554

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCC(CC2)[NH+]3CCCCC3)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCC(CC2)[NH+]3CCCCC3)OCC4=CC=CC=C4

InChI

InChI=1S/C25H34N2O2/c1-28-24-11-10-22(18-25(24)29-20-21-8-4-2-5-9-21)19-26-16-12-23(13-17-26)27-14-6-3-7-15-27/h2,4-5,8-11,18,23H,3,6-7,12-17,19-20H2,1H3/p+2