1-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium

Systemtic Name: 1-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium Openeye Name: 1-[(4-benzyloxy-3-methoxy-phenyl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium CAS Name: 1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-(2-pyridin-1-iumyl)piperazin-1-ium IUPAC Name: 1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-pyridin-1-ium-2-ylpiperazin-1-ium Traditional Name: 1-(4-benzoxy-3-methoxy-benzyl)-4-pyridin-1-ium-2-yl-piperazin-1-ium Formula: C24H29N3O2+2 MolecularWeight: 391.50596

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)OCC4=CC=CC=C4

InChI

InChI=1S/C24H27N3O2/c1-28-23-17-21(10-11-22(23)29-19-20-7-3-2-4-8-20)18-26-13-15-27(16-14-26)24-9-5-6-12-25-24/h2-12,17H,13-16,18-19H2,1H3/p+2