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

Systemtic Name: N-butyl-2-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-butyl-2-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-ethyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-butyl-2-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-butyl-2-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-butyl-2-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-ethyl]piperazin-1-ium-1-yl]acetamide Formula: C20H31N4O4+ MolecularWeight: 391.48454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C[NH+]1CCN(CC1)CC(=O)NC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCCCNC(=O)C[NH+]1CCN(CC1)CC(=O)NC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C20H30N4O4/c1-2-3-6-21-19(25)14-23-7-9-24(10-8-23)15-20(26)22-16-4-5-17-18(13-16)28-12-11-27-17/h4-5,13H,2-3,6-12,14-15H2,1H3,(H,21,25)(H,22,26)/p+1