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

Systemtic Name: 1,3-bis(oxidanylidene)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-2-prop-2-enyl-isoindole-5-carboxamide Openeye Name: 2-allyl-1,3-dioxo-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]isoindoline-5-carboxamide CAS Name: 1,3-dioxo-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]-2-prop-2-enyl-5-isoindolecarboxamide IUPAC Name: 1,3-dioxo-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-2-prop-2-enylisoindole-5-carboxamide Traditional Name: 2-allyl-1,3-diketo-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]isoindoline-5-carboxamide Formula: C25H28N3O3+ MolecularWeight: 418.50812

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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=C(C=C3)C[NH+]4CCCCC4

Isomeric SMILES

C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NCC3=CC=C(C=C3)C[NH+]4CCCCC4

InChI

InChI=1S/C25H27N3O3/c1-2-12-28-24(30)21-11-10-20(15-22(21)25(28)31)23(29)26-16-18-6-8-19(9-7-18)17-27-13-4-3-5-14-27/h2,6-11,15H,1,3-5,12-14,16-17H2,(H,26,29)/p+1