2-[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]ethanal

Systemtic Name: 2-[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]ethanal Openeye Name: 2-[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]acetaldehyde CAS Name: 2-[4-(1,3-benzodioxol-5-yl)-1-piperazinyl]acetaldehyde IUPAC Name: 2-[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]acetaldehyde Traditional Name: 2-[4-(1,3-benzodioxol-5-yl)piperazino]acetaldehyde Formula: C13H16N2O3 MolecularWeight: 248.27774

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CN(CCN1CC=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C13H16N2O3/c16-8-7-14-3-5-15(6-4-14)11-1-2-12-13(9-11)18-10-17-12/h1-2,8-9H,3-7,10H2