N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-2-ethoxy-benzamide

Systemtic Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-2-ethoxy-benzamide Openeye Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]-2-ethoxy-benzamide CAS Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]-2-ethoxybenzamide IUPAC Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethyl]-2-ethoxybenzamide Traditional Name: 2-ethoxy-N-[2-keto-2-(4-piperonylpiperazin-4-ium-1-yl)ethyl]benzamide Formula: C23H28N3O5+ MolecularWeight: 426.48552

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)NCC(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)NCC(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H27N3O5/c1-2-29-19-6-4-3-5-18(19)23(28)24-14-22(27)26-11-9-25(10-12-26)15-17-7-8-20-21(13-17)31-16-30-20/h3-8,13H,2,9-12,14-16H2,1H3,(H,24,28)/p+1