1,3-bis(oxidanylidene)-2-prop-2-enyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]isoindole-5-carboxamide

Systemtic Name: 1,3-bis(oxidanylidene)-2-prop-2-enyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]isoindole-5-carboxamide Openeye Name: 2-allyl-1,3-dioxo-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]isoindoline-5-carboxamide CAS Name: 1,3-dioxo-2-prop-2-enyl-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-5-isoindolecarboxamide IUPAC Name: 1,3-dioxo-2-prop-2-enyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]isoindole-5-carboxamide Traditional Name: 2-allyl-1,3-diketo-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]isoindoline-5-carboxamide Formula: C24H26N3O3+ MolecularWeight: 404.48154

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NCC3=CC=CC=C3C[NH+]4CCCC4

Isomeric SMILES

C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NCC3=CC=CC=C3C[NH+]4CCCC4

InChI

InChI=1S/C24H25N3O3/c1-2-11-27-23(29)20-10-9-17(14-21(20)24(27)30)22(28)25-15-18-7-3-4-8-19(18)16-26-12-5-6-13-26/h2-4,7-10,14H,1,5-6,11-13,15-16H2,(H,25,28)/p+1