N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]ethanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]acetamide CAS Name: N-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]-2-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]acetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]acetamide Formula: C21H30N5O5+ MolecularWeight: 432.4934

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)CC(=O)NC(=O)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)CC(=O)NC(=O)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H29N5O5/c27-19(23-21(29)22-16-3-4-17-18(13-16)31-12-11-30-17)14-24-7-9-25(10-8-24)15-20(28)26-5-1-2-6-26/h3-4,13H,1-2,5-12,14-15H2,(H2,22,23,27,29)/p+1