2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-4-ium-1-yl]pyridine-3-carboxamide

Systemtic Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-4-ium-1-yl]pyridine-3-carboxamide Openeye Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-4-ium-1-yl]pyridine-3-carboxamide CAS Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-piperazin-4-iumyl]-3-pyridinecarboxamide IUPAC Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-4-ium-1-yl]pyridine-3-carboxamide Traditional Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-4-ium-1-yl]nicotinamide Formula: C19H23N4O3+ MolecularWeight: 355.41092

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCCO3)C4=C(C=CC=N4)C(=O)N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCCO3)C4=C(C=CC=N4)C(=O)N

InChI

InChI=1S/C19H22N4O3/c20-18(24)15-2-1-5-21-19(15)23-8-6-22(7-9-23)13-14-3-4-16-17(12-14)26-11-10-25-16/h1-5,12H,6-11,13H2,(H2,20,24)/p+1