N-(1,3-benzodioxol-5-yl)-3-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-3-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]propanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-3-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]propanamide CAS Name: N-(1,3-benzodioxol-5-yl)-3-[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-3-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]propanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-3-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]propionamide Formula: C16H24N3O4+ MolecularWeight: 322.37946

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)NC2=CC3=C(C=C2)OCO3)CCO

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)NC2=CC3=C(C=C2)OCO3)CCO

InChI

InChI=1S/C16H23N3O4/c20-10-9-19-7-5-18(6-8-19)4-3-16(21)17-13-1-2-14-15(11-13)23-12-22-14/h1-2,11,20H,3-10,12H2,(H,17,21)/p+1