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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(3S)-1-(4-hexoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(3S)-1-(4-hexoxyphenyl)-2,5-dioxo-pyrrolidin-3-yl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(3S)-1-(4-hexoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(3S)-1-(4-hexoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium Traditional Name: [(3S)-1-(4-hexoxyphenyl)-2,5-diketo-pyrrolidin-3-yl]-piperonyl-ammonium Formula: C24H29N2O5+ MolecularWeight: 425.49746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH2+]CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)N2C(=O)C[C@@H](C2=O)[NH2+]CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C24H28N2O5/c1-2-3-4-5-12-29-19-9-7-18(8-10-19)26-23(27)14-20(24(26)28)25-15-17-6-11-21-22(13-17)31-16-30-21/h6-11,13,20,25H,2-5,12,14-16H2,1H3/p+1/t20-/m0/s1