[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(2-ethoxypyridin-3-yl)methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(2-ethoxypyridin-3-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(2-ethoxy-3-pyridyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-(2-ethoxy-3-pyridinyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(2-ethoxypyridin-3-yl)methanone Traditional Name: (2-ethoxy-3-pyridyl)-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C20H24N3O4+ MolecularWeight: 370.42226

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC=N1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC1=C(C=CC=N1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H23N3O4/c1-2-25-19-16(4-3-7-21-19)20(24)23-10-8-22(9-11-23)13-15-5-6-17-18(12-15)27-14-26-17/h3-7,12H,2,8-11,13-14H2,1H3/p+1