[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]-(1-oxidanidylpyridin-1-ium-4-yl)methanone

Systemtic Name: [3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]-(1-oxidanidylpyridin-1-ium-4-yl)methanone Openeye Name: [3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-piperidyl]-(1-oxidopyridin-1-ium-4-yl)methanone CAS Name: [3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-piperidinyl]-(1-oxido-4-pyridin-1-iumyl)methanone IUPAC Name: [3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]-(1-oxidopyridin-1-ium-4-yl)methanone Traditional Name: (1-oxidopyridin-1-ium-4-yl)-[3-(4-piperonylpiperazino)piperidino]methanone Formula: C23H28N4O4 MolecularWeight: 424.49282

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=[N+](C=C2)[O-])N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=CC=[N+](C=C2)[O-])N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H28N4O4/c28-23(19-5-8-27(29)9-6-19)26-7-1-2-20(16-26)25-12-10-24(11-13-25)15-18-3-4-21-22(14-18)31-17-30-21/h3-6,8-9,14,20H,1-2,7,10-13,15-17H2