2-butyl-1,3-bis(oxidanylidene)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]isoindole-5-carboxamide

Systemtic Name: 2-butyl-1,3-bis(oxidanylidene)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]isoindole-5-carboxamide Openeye Name: 2-butyl-1,3-dioxo-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]isoindoline-5-carboxamide CAS Name: 2-butyl-1,3-dioxo-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-5-isoindolecarboxamide IUPAC Name: 2-butyl-1,3-dioxo-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]isoindole-5-carboxamide Traditional Name: 2-butyl-1,3-diketo-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]isoindoline-5-carboxamide Formula: C25H30N3O3+ MolecularWeight: 420.524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NCC3=CC=C(C=C3)C[NH+]4CCCC4

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NCC3=CC=C(C=C3)C[NH+]4CCCC4

InChI

InChI=1S/C25H29N3O3/c1-2-3-14-28-24(30)21-11-10-20(15-22(21)25(28)31)23(29)26-16-18-6-8-19(9-7-18)17-27-12-4-5-13-27/h6-11,15H,2-5,12-14,16-17H2,1H3,(H,26,29)/p+1