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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(3S)-1-(4-butoxycarbonylphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(3S)-1-(4-butoxycarbonylphenyl)-2,5-dioxo-pyrrolidin-3-yl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(3S)-1-[4-[butoxy(oxo)methyl]phenyl]-2,5-dioxo-3-pyrrolidinyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(3S)-1-(4-butoxycarbonylphenyl)-2,5-dioxopyrrolidin-3-yl]azanium Traditional Name: [(3S)-1-(4-butoxycarbonylphenyl)-2,5-diketo-pyrrolidin-3-yl]-piperonyl-ammonium Formula: C23H25N2O6+ MolecularWeight: 425.4544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N2O6/c1-2-3-10-29-23(28)16-5-7-17(8-6-16)25-21(26)12-18(22(25)27)24-13-15-4-9-19-20(11-15)31-14-30-19/h4-9,11,18,24H,2-3,10,12-14H2,1H3/p+1/t18-/m0/s1