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

Systemtic Name: 1-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-4-piperidin-1-ium-1-yl-piperidin-1-ium Openeye Name: 1-[(4-benzyloxy-3-methoxy-phenyl)methyl]-4-piperidin-1-ium-1-yl-piperidin-1-ium CAS Name: 1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-(1-piperidin-1-iumyl)piperidin-1-ium IUPAC Name: 1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-piperidin-1-ium-1-ylpiperidin-1-ium Traditional Name: 1-(4-benzoxy-3-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=CC(=C1)C[NH+]2CCC(CC2)[NH+]3CCCCC3)OCC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H34N2O2/c1-28-25-18-22(10-11-24(25)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