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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(3S)-1-(4-methoxycarbonylphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(3S)-1-(4-methoxycarbonylphenyl)-2,5-dioxo-pyrrolidin-3-yl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(3S)-1-(4-methoxycarbonylphenyl)-2,5-dioxo-3-pyrrolidinyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(3S)-1-(4-methoxycarbonylphenyl)-2,5-dioxopyrrolidin-3-yl]azanium Traditional Name: [(3S)-1-(4-carbomethoxyphenyl)-2,5-diketo-pyrrolidin-3-yl]-piperonyl-ammonium Formula: C20H19N2O6+ MolecularWeight: 383.37466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O6/c1-26-20(25)13-3-5-14(6-4-13)22-18(23)9-15(19(22)24)21-10-12-2-7-16-17(8-12)28-11-27-16/h2-8,15,21H,9-11H2,1H3/p+1/t15-/m0/s1