2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-ethanamide

Systemtic Name: 2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-ethanamide Openeye Name: 2-[4-(2-pyridyl)piperazin-1-ium-1-yl]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-acetamide CAS Name: 2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]-N-(5-spiro[1,3-benzodioxole-2,1'-cyclohexane]yl)acetamide IUPAC Name: 2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide Traditional Name: 2-[4-(2-pyridyl)piperazin-1-ium-1-yl]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-acetamide Formula: C23H29N4O3+ MolecularWeight: 409.50136

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)OC3=C(O2)C=C(C=C3)NC(=O)C[NH+]4CCN(CC4)C5=CC=CC=N5

Isomeric SMILES

C1CCC2(CC1)OC3=C(O2)C=C(C=C3)NC(=O)C[NH+]4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C23H28N4O3/c28-22(17-26-12-14-27(15-13-26)21-6-2-5-11-24-21)25-18-7-8-19-20(16-18)30-23(29-19)9-3-1-4-10-23/h2,5-8,11,16H,1,3-4,9-10,12-15,17H2,(H,25,28)/p+1