2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-butyl-ethanamide

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-butyl-ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-butyl-acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]-N-butylacetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-butylacetamide Traditional Name: N-butyl-2-(4-piperonylpiperazin-1-ium-1-yl)acetamide Formula: C18H28N3O3+ MolecularWeight: 334.43322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C[NH+]1CCN(CC1)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCCNC(=O)C[NH+]1CCN(CC1)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H27N3O3/c1-2-3-6-19-18(22)13-21-9-7-20(8-10-21)12-15-4-5-16-17(11-15)24-14-23-16/h4-5,11H,2-3,6-10,12-14H2,1H3,(H,19,22)/p+1