1,3-benzodioxol-5-yl-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: 1,3-benzodioxol-5-yl-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: 1,3-benzodioxol-5-yl-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: 1,3-benzodioxol-5-yl-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: 1,3-benzodioxol-5-yl-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C17H18N3O3+ MolecularWeight: 312.34312

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC4=C(C=C3)OCO4

InChI

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