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

Systemtic Name: 2-(3-methoxypropyl)-N-(4-methylpiperazin-4-ium-1-yl)-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: 2-(3-methoxypropyl)-N-(4-methylpiperazin-4-ium-1-yl)-1,3-dioxo-isoindoline-5-carboxamide CAS Name: 2-(3-methoxypropyl)-N-(4-methyl-1-piperazin-4-iumyl)-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: 2-(3-methoxypropyl)-N-(4-methylpiperazin-4-ium-1-yl)-1,3-dioxoisoindole-5-carboxamide Traditional Name: 1,3-diketo-2-(3-methoxypropyl)-N-(4-methylpiperazin-4-ium-1-yl)isoindoline-5-carboxamide Formula: C18H25N4O4+ MolecularWeight: 361.4155

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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)CCCOC

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O4/c1-20-7-9-21(10-8-20)19-16(23)13-4-5-14-15(12-13)18(25)22(17(14)24)6-3-11-26-2/h4-5,12H,3,6-11H2,1-2H3,(H,19,23)/p+1