2-[2-methoxy-4-[[4-(pyridin-4-ylmethyl)piperazine-1,4-diium-1-yl]methyl]phenoxy]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[2-methoxy-4-[[4-(pyridin-4-ylmethyl)piperazine-1,4-diium-1-yl]methyl]phenoxy]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[2-methoxy-4-[[4-(4-pyridylmethyl)piperazine-1,4-diium-1-yl]methyl]phenoxy]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[2-methoxy-4-[[4-(pyridin-4-ylmethyl)-1-piperazine-1,4-diiumyl]methyl]phenoxy]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[2-methoxy-4-[[4-(pyridin-4-ylmethyl)piperazine-1,4-diium-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[2-methoxy-4-[[4-(4-pyridylmethyl)piperazine-1,4-diium-1-yl]methyl]phenoxy]-1-pyrrolidino-ethanone Formula: C24H34N4O3+2 MolecularWeight: 426.55176

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH+]2CC[NH+](CC2)CC3=CC=NC=C3)OCC(=O)N4CCCC4

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH+]2CC[NH+](CC2)CC3=CC=NC=C3)OCC(=O)N4CCCC4

InChI

InChI=1S/C24H32N4O3/c1-30-23-16-21(4-5-22(23)31-19-24(29)28-10-2-3-11-28)18-27-14-12-26(13-15-27)17-20-6-8-25-9-7-20/h4-9,16H,2-3,10-15,17-19H2,1H3/p+2