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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(3S)-1-(4-ethoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(3S)-1-(4-ethoxyphenyl)-2,5-dioxo-pyrrolidin-3-yl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(3S)-1-(4-ethoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(3S)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium Traditional Name: [(3S)-2,5-diketo-1-p-phenetyl-pyrrolidin-3-yl]-piperonyl-ammonium Formula: C20H21N2O5+ MolecularWeight: 369.39114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH2+]CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C[C@@H](C2=O)[NH2+]CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H20N2O5/c1-2-25-15-6-4-14(5-7-15)22-19(23)10-16(20(22)24)21-11-13-3-8-17-18(9-13)27-12-26-17/h3-9,16,21H,2,10-12H2,1H3/p+1/t16-/m0/s1