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

Systemtic Name: 1-[1-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperidin-1-ium-4-yl]azepan-1-ium Openeye Name: 1-[1-[(4-benzyloxy-3-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]azepan-1-ium CAS Name: 1-[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-piperidin-1-iumyl]azepan-1-ium IUPAC Name: 1-[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-yl]azepan-1-ium Traditional Name: 1-[1-(4-benzoxy-3-methoxy-benzyl)piperidin-1-ium-4-yl]azepan-1-ium Formula: C26H38N2O2+2 MolecularWeight: 410.59212

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH+]2CCC(CC2)[NH+]3CCCCCC3)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH+]2CCC(CC2)[NH+]3CCCCCC3)OCC4=CC=CC=C4

InChI

InChI=1S/C26H36N2O2/c1-29-26-19-23(11-12-25(26)30-21-22-9-5-4-6-10-22)20-27-17-13-24(14-18-27)28-15-7-2-3-8-16-28/h4-6,9-12,19,24H,2-3,7-8,13-18,20-21H2,1H3/p+2