N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-prop-2-enyl-piperazin-4-ium-1-carboxamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-prop-2-enyl-piperazin-4-ium-1-carboxamide Openeye Name: 4-allyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-4-ium-1-carboxamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-prop-2-enyl-1-piperazin-4-iumcarboxamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-prop-2-enylpiperazin-4-ium-1-carboxamide Traditional Name: 4-allyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-4-ium-1-carboxamide Formula: C16H22N3O3+ MolecularWeight: 304.36418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O3/c1-2-5-18-6-8-19(9-7-18)16(20)17-13-3-4-14-15(12-13)22-11-10-21-14/h2-4,12H,1,5-11H2,(H,17,20)/p+1