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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(3S)-2,5-bis(oxidanylidene)-1-phenethyl-pyrrolidin-3-yl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(3S)-2,5-dioxo-1-phenethyl-pyrrolidin-3-yl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(3S)-2,5-dioxo-1-phenethyl-3-pyrrolidinyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(3S)-2,5-dioxo-1-phenethylpyrrolidin-3-yl]azanium Traditional Name: [(3S)-2,5-diketo-1-phenethyl-pyrrolidin-3-yl]-piperonyl-ammonium Formula: C20H21N2O4+ MolecularWeight: 353.39174

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)CCC2=CC=CC=C2)[NH2+]CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1[C@@H](C(=O)N(C1=O)CCC2=CC=CC=C2)[NH2+]CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H20N2O4/c23-19-11-16(20(24)22(19)9-8-14-4-2-1-3-5-14)21-12-15-6-7-17-18(10-15)26-13-25-17/h1-7,10,16,21H,8-9,11-13H2/p+1/t16-/m0/s1