2-[2-(4-cyclohexylpiperazin-4-ium-1-yl)ethyl]benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-[2-(4-cyclohexylpiperazin-4-ium-1-yl)ethyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[2-(4-cyclohexylpiperazin-4-ium-1-yl)ethyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[2-(4-cyclohexyl-1-piperazin-4-iumyl)ethyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[2-(4-cyclohexylpiperazin-4-ium-1-yl)ethyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[2-(4-cyclohexylpiperazin-4-ium-1-yl)ethyl]benzo[de]isoquinoline-1,3-quinone Formula: C24H30N3O2+ MolecularWeight: 392.5139

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCN(CC2)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

Isomeric SMILES

C1CCC(CC1)[NH+]2CCN(CC2)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

InChI

InChI=1S/C24H29N3O2/c28-23-20-10-4-6-18-7-5-11-21(22(18)20)24(29)27(23)17-14-25-12-15-26(16-13-25)19-8-2-1-3-9-19/h4-7,10-11,19H,1-3,8-9,12-17H2/p+1