1,3-benzodioxol-5-ylmethyl-[(3S)-1-methyl-2,5-bis(oxidanylidene)pyrrolidin-3-yl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(3S)-1-methyl-2,5-bis(oxidanylidene)pyrrolidin-3-yl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(3S)-1-methyl-2,5-dioxo-pyrrolidin-3-yl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(3S)-1-methyl-2,5-dioxo-3-pyrrolidinyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]azanium Traditional Name: [(3S)-2,5-diketo-1-methyl-pyrrolidin-3-yl]-piperonyl-ammonium Formula: C13H15N2O4+ MolecularWeight: 263.2692

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CC(C1=O)[NH2+]CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CN1C(=O)C[C@@H](C1=O)[NH2+]CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C13H14N2O4/c1-15-12(16)5-9(13(15)17)14-6-8-2-3-10-11(4-8)19-7-18-10/h2-4,9,14H,5-7H2,1H3/p+1/t9-/m0/s1