4-[8-(1-methylpiperazin-1-ium-1-yl)octyl]isoindole-1,3-dione

Systemtic Name: 4-[8-(1-methylpiperazin-1-ium-1-yl)octyl]isoindole-1,3-dione Openeye Name: 4-[8-(1-methylpiperazin-1-ium-1-yl)octyl]isoindoline-1,3-dione CAS Name: 4-[8-(1-methyl-1-piperazin-1-iumyl)octyl]isoindole-1,3-dione IUPAC Name: 4-[8-(1-methylpiperazin-1-ium-1-yl)octyl]isoindole-1,3-dione Traditional Name: 4-[8-(1-methylpiperazin-1-ium-1-yl)octyl]isoindoline-1,3-quinone Formula: C21H32N3O2+ MolecularWeight: 358.49768

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCNCC1)CCCCCCCCC2=CC=CC3=C2C(=O)NC3=O

Isomeric SMILES

C[N+]1(CCNCC1)CCCCCCCCC2=CC=CC3=C2C(=O)NC3=O

InChI

InChI=1S/C21H31N3O2/c1-24(15-12-22-13-16-24)14-7-5-3-2-4-6-9-17-10-8-11-18-19(17)21(26)23-20(18)25/h8,10-11,22H,2-7,9,12-16H2,1H3/p+1