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

Systemtic Name: 1-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine-1,4-diium Openeye Name: 1-[(3-benzyloxy-4-methoxy-phenyl)methyl]-4-(4-pyridylmethyl)piperazine-1,4-diium CAS Name: 1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine-1,4-diium IUPAC Name: 1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine-1,4-diium Traditional Name: 1-(3-benzoxy-4-methoxy-benzyl)-4-(4-pyridylmethyl)piperazine-1,4-diium Formula: C25H31N3O2+2 MolecularWeight: 405.53254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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