1-(1,3-benzodioxol-5-ylmethyl)-4-pyridin-1-ium-2-yl-piperazin-2-one

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-pyridin-1-ium-2-yl-piperazin-2-one Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-pyridin-1-ium-2-yl-piperazin-2-one CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2-pyridin-1-iumyl)-2-piperazinone IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-pyridin-1-ium-2-ylpiperazin-2-one Traditional Name: 1-piperonyl-4-pyridin-1-ium-2-yl-piperazin-2-one Formula: C17H18N3O3+ MolecularWeight: 312.34312

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CN1C2=CC=CC=[NH+]2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(C(=O)CN1C2=CC=CC=[NH+]2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H17N3O3/c21-17-11-19(16-3-1-2-6-18-16)7-8-20(17)10-13-4-5-14-15(9-13)23-12-22-14/h1-6,9H,7-8,10-12H2/p+1