6-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(4-piperazin-4-ium-1-ylbutyl)hexanamide chloride

Systemtic Name: 6-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(4-piperazin-4-ium-1-ylbutyl)hexanamide chloride Openeye Name: 6-(1,3-dioxoisoindolin-2-yl)-N-(4-piperazin-4-ium-1-ylbutyl)hexanamide chloride CAS Name: 6-(1,3-dioxo-2-isoindolyl)-N-[4-(1-piperazin-4-iumyl)butyl]hexanamide chloride IUPAC Name: 6-(1,3-dioxoisoindol-2-yl)-N-(4-piperazin-4-ium-1-ylbutyl)hexanamide chloride Traditional Name: 6-phthalimido-N-(4-piperazin-4-ium-1-ylbutyl)hexanamide chloride Formula: C22H33ClN4O3 MolecularWeight: 436.97542

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)CCCCNC(=O)CCCCCN2C(=O)C3=CC=CC=C3C2=O.[Cl-]

Isomeric SMILES

C1CN(CC[NH2+]1)CCCCNC(=O)CCCCCN2C(=O)C3=CC=CC=C3C2=O.[Cl-]

InChI

InChI=1S/C22H32N4O3.ClH/c27-20(24-11-5-7-14-25-16-12-23-13-17-25)10-2-1-6-15-26-21(28)18-8-3-4-9-19(18)22(26)29;/h3-4,8-9,23H,1-2,5-7,10-17H2,(H,24,27);1H