5-piperazin-4-ium-1-ylcarbonyl-2-propyl-isoindole-1,3-dione

Systemtic Name: 5-piperazin-4-ium-1-ylcarbonyl-2-propyl-isoindole-1,3-dione Openeye Name: 5-(piperazin-4-ium-1-carbonyl)-2-propyl-isoindoline-1,3-dione CAS Name: 5-[oxo(1-piperazin-4-iumyl)methyl]-2-propylisoindole-1,3-dione IUPAC Name: 5-(piperazin-4-ium-1-carbonyl)-2-propylisoindole-1,3-dione Traditional Name: 5-(piperazin-4-ium-1-carbonyl)-2-propyl-isoindoline-1,3-quinone Formula: C16H20N3O3+ MolecularWeight: 302.3483

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CC[NH2+]CC3

Isomeric SMILES

CCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CC[NH2+]CC3

InChI

InChI=1S/C16H19N3O3/c1-2-7-19-15(21)12-4-3-11(10-13(12)16(19)22)14(20)18-8-5-17-6-9-18/h3-4,10,17H,2,5-9H2,1H3/p+1