N-(4-methylpiperazin-4-ium-1-yl)-1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindole-5-carboxamide

Systemtic Name: N-(4-methylpiperazin-4-ium-1-yl)-1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindole-5-carboxamide Openeye Name: 2-allyl-N-(4-methylpiperazin-4-ium-1-yl)-1,3-dioxo-isoindoline-5-carboxamide CAS Name: N-(4-methyl-1-piperazin-4-iumyl)-1,3-dioxo-2-prop-2-enyl-5-isoindolecarboxamide IUPAC Name: N-(4-methylpiperazin-4-ium-1-yl)-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide Traditional Name: 2-allyl-1,3-diketo-N-(4-methylpiperazin-4-ium-1-yl)isoindoline-5-carboxamide Formula: C17H21N4O3+ MolecularWeight: 329.37364

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC=C

Isomeric SMILES

C[NH+]1CCN(CC1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC=C

InChI

InChI=1S/C17H20N4O3/c1-3-6-21-16(23)13-5-4-12(11-14(13)17(21)24)15(22)18-20-9-7-19(2)8-10-20/h3-5,11H,1,6-10H2,2H3,(H,18,22)/p+1