N-(1,3-benzodioxol-5-ylmethyl)-2-[(2R)-3-oxidanylidene-1-propan-2-yl-piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2R)-3-oxidanylidene-1-propan-2-yl-piperazin-1-ium-2-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2R)-1-isopropyl-3-oxo-piperazin-1-ium-2-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2R)-3-oxo-1-propan-2-yl-2-piperazin-1-iumyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-1-ium-2-yl]acetamide Traditional Name: 2-[(2R)-1-isopropyl-3-keto-piperazin-1-ium-2-yl]-N-piperonyl-acetamide Formula: C17H24N3O4+ MolecularWeight: 334.39016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCNC(=O)C1CC(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)[NH+]1CCNC(=O)[C@H]1CC(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H23N3O4/c1-11(2)20-6-5-18-17(22)13(20)8-16(21)19-9-12-3-4-14-15(7-12)24-10-23-14/h3-4,7,11,13H,5-6,8-10H2,1-2H3,(H,18,22)(H,19,21)/p+1/t13-/m1/s1