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

Systemtic Name: 1-[1-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperidin-1-ium-4-yl]-4-methyl-piperazin-4-ium Openeye Name: 1-[1-[(4-benzyloxy-3-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]-4-methyl-piperazin-4-ium CAS Name: 1-[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-piperidin-1-iumyl]-4-methylpiperazin-4-ium IUPAC Name: 1-[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-yl]-4-methylpiperazin-4-ium Traditional Name: 1-[1-(4-benzoxy-3-methoxy-benzyl)piperidin-1-ium-4-yl]-4-methyl-piperazin-4-ium Formula: C25H37N3O2+2 MolecularWeight: 411.58018

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2CC[NH+](CC2)CC3=CC(=C(C=C3)OCC4=CC=CC=C4)OC

Isomeric SMILES

C[NH+]1CCN(CC1)C2CC[NH+](CC2)CC3=CC(=C(C=C3)OCC4=CC=CC=C4)OC

InChI

InChI=1S/C25H35N3O2/c1-26-14-16-28(17-15-26)23-10-12-27(13-11-23)19-22-8-9-24(25(18-22)29-2)30-20-21-6-4-3-5-7-21/h3-9,18,23H,10-17,19-20H2,1-2H3/p+2