(3-methoxy-4-phenylmethoxy-phenyl)-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (3-methoxy-4-phenylmethoxy-phenyl)-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzyloxy-3-methoxy-phenyl)-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (3-methoxy-4-phenylmethoxyphenyl)-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (3-methoxy-4-phenylmethoxyphenyl)-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (4-benzoxy-3-methoxy-phenyl)-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]methanone Formula: C25H28N3O3+ MolecularWeight: 418.50812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=NC=C3)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=NC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C25H27N3O3/c1-30-24-17-22(7-8-23(24)31-19-21-5-3-2-4-6-21)25(29)28-15-13-27(14-16-28)18-20-9-11-26-12-10-20/h2-12,17H,13-16,18-19H2,1H3/p+1