1-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]ethanoyl]piperidine-4-carboxamide

Systemtic Name: 1-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]ethanoyl]piperidine-4-carboxamide Openeye Name: 1-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]acetyl]piperidine-4-carboxamide CAS Name: 1-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]-1-oxoethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]acetyl]piperidine-4-carboxamide Traditional Name: 1-[2-(4-piperonylpiperazin-1-ium-1-yl)acetyl]isonipecotamide Formula: C20H29N4O4+ MolecularWeight: 389.46866

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N)C(=O)C[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCC1C(=O)N)C(=O)C[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H28N4O4/c21-20(26)16-3-5-24(6-4-16)19(25)13-23-9-7-22(8-10-23)12-15-1-2-17-18(11-15)28-14-27-17/h1-2,11,16H,3-10,12-14H2,(H2,21,26)/p+1