N-[(2S)-1-oxidanylidene-1-piperazin-4-ium-1-yl-propan-2-yl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[(2S)-1-oxidanylidene-1-piperazin-4-ium-1-yl-propan-2-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(1S)-1-methyl-2-oxo-2-piperazin-4-ium-1-yl-ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[(2S)-1-oxo-1-(1-piperazin-4-iumyl)propan-2-yl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(2S)-1-oxo-1-piperazin-4-ium-1-ylpropan-2-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(1S)-2-keto-1-methyl-2-piperazin-4-ium-1-yl-ethyl]-piperonylamide Formula: C15H20N3O4+ MolecularWeight: 306.337

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC[NH2+]CC1)NC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[C@@H](C(=O)N1CC[NH2+]CC1)NC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C15H19N3O4/c1-10(15(20)18-6-4-16-5-7-18)17-14(19)11-2-3-12-13(8-11)22-9-21-12/h2-3,8,10,16H,4-7,9H2,1H3,(H,17,19)/p+1/t10-/m0/s1