2-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]oxy-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]oxy-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone Openeye Name: 2-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]oxy-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone CAS Name: 2-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]oxy-1-[4-(4-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]oxy-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone Traditional Name: 2-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]oxy-1-(4-pyridin-1-ium-4-ylpiperazino)ethanone Formula: C20H23N4O4+ MolecularWeight: 383.42102

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NOCC(=O)N1CCN(CC1)C2=CC=[NH+]C=C2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C/C(=N/OCC(=O)N1CCN(CC1)C2=CC=[NH+]C=C2)/C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H22N4O4/c1-15(16-2-3-18-19(12-16)27-14-26-18)22-28-13-20(25)24-10-8-23(9-11-24)17-4-6-21-7-5-17/h2-7,12H,8-11,13-14H2,1H3/p+1/b22-15-