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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[1-(4-butoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[1-(4-butoxyphenyl)-2,5-dioxo-pyrrolidin-3-yl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[1-(4-butoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[1-(4-butoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium Traditional Name: [1-(4-butoxyphenyl)-2,5-diketo-pyrrolidin-3-yl]-piperonyl-ammonium Formula: C22H25N2O5+ MolecularWeight: 397.4443

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH2+]CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH2+]CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H24N2O5/c1-2-3-10-27-17-7-5-16(6-8-17)24-21(25)12-18(22(24)26)23-13-15-4-9-19-20(11-15)29-14-28-19/h4-9,11,18,23H,2-3,10,12-14H2,1H3/p+1