N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)-N-[(2-prop-2-enoxyphenyl)methyl]ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)-N-[(2-prop-2-enoxyphenyl)methyl]ethanamide Openeye Name: N-[(2-allyloxyphenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-oxo-1-piperazin-1-iumyl)-N-[(2-prop-2-enoxyphenyl)methyl]acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-oxopiperazin-1-ium-1-yl)-N-[(2-prop-2-enoxyphenyl)methyl]acetamide Traditional Name: N-(2-allyloxybenzyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-ketopiperazin-1-ium-1-yl)acetamide Formula: C24H28N3O5+ MolecularWeight: 438.49622

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=CC=C1CN(C2=CC3=C(C=C2)OCCO3)C(=O)C[NH+]4CCNC(=O)C4

Isomeric SMILES

C=CCOC1=CC=CC=C1CN(C2=CC3=C(C=C2)OCCO3)C(=O)C[NH+]4CCNC(=O)C4

InChI

InChI=1S/C24H27N3O5/c1-2-11-30-20-6-4-3-5-18(20)15-27(24(29)17-26-10-9-25-23(28)16-26)19-7-8-21-22(14-19)32-13-12-31-21/h2-8,14H,1,9-13,15-17H2,(H,25,28)/p+1