1,3-benzodioxol-5-ylmethyl-[(3R)-1-(4-ethoxycarbonylphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(3R)-1-(4-ethoxycarbonylphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(3R)-1-(4-ethoxycarbonylphenyl)-2,5-dioxo-pyrrolidin-3-yl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(3R)-1-(4-ethoxycarbonylphenyl)-2,5-dioxo-3-pyrrolidinyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(3R)-1-(4-ethoxycarbonylphenyl)-2,5-dioxopyrrolidin-3-yl]azanium Traditional Name: [(3R)-1-(4-carbethoxyphenyl)-2,5-diketo-pyrrolidin-3-yl]-piperonyl-ammonium Formula: C21H21N2O6+ MolecularWeight: 397.40124

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH2+]CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C[C@H](C2=O)[NH2+]CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H20N2O6/c1-2-27-21(26)14-4-6-15(7-5-14)23-19(24)10-16(20(23)25)22-11-13-3-8-17-18(9-13)29-12-28-17/h3-9,16,22H,2,10-12H2,1H3/p+1/t16-/m1/s1