(2R)-N-(1,3-benzodioxol-5-yl)-2-(4-ethanoylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-(4-ethanoylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2R)-2-(4-acetylpiperazin-1-ium-1-yl)-N-(1,3-benzodioxol-5-yl)propanamide CAS Name: (2R)-2-(4-acetyl-1-piperazin-1-iumyl)-N-(1,3-benzodioxol-5-yl)propanamide IUPAC Name: (2R)-2-(4-acetylpiperazin-1-ium-1-yl)-N-(1,3-benzodioxol-5-yl)propanamide Traditional Name: (2R)-2-(4-acetylpiperazin-1-ium-1-yl)-N-(1,3-benzodioxol-5-yl)propionamide Formula: C16H22N3O4+ MolecularWeight: 320.36358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)[NH+]3CCN(CC3)C(=O)C

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(C=C1)OCO2)[NH+]3CCN(CC3)C(=O)C

InChI

InChI=1S/C16H21N3O4/c1-11(18-5-7-19(8-6-18)12(2)20)16(21)17-13-3-4-14-15(9-13)23-10-22-14/h3-4,9,11H,5-8,10H2,1-2H3,(H,17,21)/p+1/t11-/m1/s1