2-(3-methylbutyl)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-1,3-bis(oxidanylidene)isoindole-5-carboxamide

Systemtic Name: 2-(3-methylbutyl)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: 2-isopentyl-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-1,3-dioxo-isoindoline-5-carboxamide CAS Name: 2-(3-methylbutyl)-N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: 2-(3-methylbutyl)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-1,3-dioxoisoindole-5-carboxamide Traditional Name: 2-isoamyl-1,3-diketo-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]isoindoline-5-carboxamide Formula: C24H30N5O3+ MolecularWeight: 436.5267

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CN=C(C=C3)N4CC[NH+](CC4)C

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CN=C(C=C3)N4CC[NH+](CC4)C

InChI

InChI=1S/C24H29N5O3/c1-16(2)8-9-29-23(31)19-6-4-17(14-20(19)24(29)32)22(30)26-18-5-7-21(25-15-18)28-12-10-27(3)11-13-28/h4-7,14-16H,8-13H2,1-3H3,(H,26,30)/p+1