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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(3S)-2,5-bis(oxidanylidene)-1-(4-propoxyphenyl)pyrrolidin-3-yl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(3S)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(3S)-2,5-dioxo-1-(4-propoxyphenyl)-3-pyrrolidinyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(3S)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]azanium Traditional Name: [(3S)-2,5-diketo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-piperonyl-ammonium Formula: C21H23N2O5+ MolecularWeight: 383.41772

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH2+]CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCOC1=CC=C(C=C1)N2C(=O)C[C@@H](C2=O)[NH2+]CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H22N2O5/c1-2-9-26-16-6-4-15(5-7-16)23-20(24)11-17(21(23)25)22-12-14-3-8-18-19(10-14)28-13-27-18/h3-8,10,17,22H,2,9,11-13H2,1H3/p+1/t17-/m0/s1