1,3-benzodioxol-5-yl-[4-[3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]phenoxy]piperidin-1-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[4-[3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]phenoxy]piperidin-1-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[4-[3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]phenoxy]-1-piperidyl]methanone CAS Name: 1,3-benzodioxol-5-yl-[4-[3-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]phenoxy]-1-piperidinyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[4-[3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]phenoxy]piperidin-1-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[4-[3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]phenoxy]piperidino]methanone Formula: C29H34N4O4+2 MolecularWeight: 502.60466

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC2=CC=CC(=C2)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4)C(=O)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CN(CCC1OC2=CC=CC(=C2)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4)C(=O)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C29H32N4O4/c34-29(23-7-8-26-27(19-23)36-21-35-26)33-12-9-24(10-13-33)37-25-5-3-4-22(18-25)20-31-14-16-32(17-15-31)28-6-1-2-11-30-28/h1-8,11,18-19,24H,9-10,12-17,20-21H2/p+2