2,3-dihydro-1,4-benzodioxin-6-yl-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-yl-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: 2,3-dihydro-1,4-benzodioxin-6-yl-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-yl-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-yl-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C18H20N3O3+ MolecularWeight: 326.3697

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C18H19N3O3/c22-18(14-4-5-15-16(13-14)24-12-11-23-15)21-9-7-20(8-10-21)17-3-1-2-6-19-17/h1-6,13H,7-12H2/p+1