2-[4-[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide

Systemtic Name: 2-[4-[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide Openeye Name: 2-[4-[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxo-ethyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide CAS Name: 2-[4-[2-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-2-oxoethyl]-1-piperazin-1-iumyl]-N-cyclopropylacetamide IUPAC Name: 2-[4-[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxoethyl]piperazin-1-ium-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[4-[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-keto-ethyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide Formula: C19H26N5O5+ MolecularWeight: 404.44024

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[NH+]2CCN(CC2)CC(=O)NC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CC1NC(=O)C[NH+]2CCN(CC2)CC(=O)NC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H25N5O5/c25-17(20-13-1-2-13)10-23-5-7-24(8-6-23)11-18(26)22-19(27)21-14-3-4-15-16(9-14)29-12-28-15/h3-4,9,13H,1-2,5-8,10-12H2,(H,20,25)(H2,21,22,26,27)/p+1