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

Systemtic Name: 1-[1-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperidin-1-ium-4-yl]-4-methyl-piperazine-1,4-diium Openeye Name: 1-[1-[(4-benzyloxy-3-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]-4-methyl-piperazine-1,4-diium CAS Name: 1-[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-piperidin-1-iumyl]-4-methylpiperazine-1,4-diium IUPAC Name: 1-[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-yl]-4-methylpiperazine-1,4-diium Traditional Name: 1-[1-(4-benzoxy-3-methoxy-benzyl)piperidin-1-ium-4-yl]-4-methyl-piperazine-1,4-diium Formula: C25H38N3O2+3 MolecularWeight: 412.58812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[NH+]1CC[NH+](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+3