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

Systemtic Name: 1-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]-4-(pyridin-1-ium-3-ylmethyl)piperazine-1,4-diium Openeye Name: 1-[(3-benzyloxy-4-methoxy-phenyl)methyl]-4-(pyridin-1-ium-3-ylmethyl)piperazine-1,4-diium CAS Name: 1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-(3-pyridin-1-iumylmethyl)piperazine-1,4-diium IUPAC Name: 1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-(pyridin-1-ium-3-ylmethyl)piperazine-1,4-diium Traditional Name: 1-(3-benzoxy-4-methoxy-benzyl)-4-(pyridin-1-ium-3-ylmethyl)piperazine-1,4-diium Formula: C25H32N3O2+3 MolecularWeight: 406.54048

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CC[NH+](CC2)CC3=C[NH+]=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CC[NH+](CC2)CC3=C[NH+]=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C25H29N3O2/c1-29-24-10-9-22(16-25(24)30-20-21-6-3-2-4-7-21)18-27-12-14-28(15-13-27)19-23-8-5-11-26-17-23/h2-11,16-17H,12-15,18-20H2,1H3/p+3