2-[3-(1,1,2-trimethylbenzo[e]indol-3-ium-3-yl)propyl]isoindole-1,3-dione

Systemtic Name: 2-[3-(1,1,2-trimethylbenzo[e]indol-3-ium-3-yl)propyl]isoindole-1,3-dione Openeye Name: 2-[3-(1,1,2-trimethylbenzo[e]indol-3-ium-3-yl)propyl]isoindoline-1,3-dione CAS Name: 2-[3-(1,1,2-trimethyl-3-benzo[e]indol-3-iumyl)propyl]isoindole-1,3-dione IUPAC Name: 2-[3-(1,1,2-trimethylbenzo[e]indol-3-ium-3-yl)propyl]isoindole-1,3-dione Traditional Name: 2-[3-(1,1,2-trimethylbenz[e]indol-3-ium-3-yl)propyl]isoindoline-1,3-quinone Formula: C26H25N2O2+ MolecularWeight: 397.4889

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(C1(C)C)C3=CC=CC=C3C=C2)CCCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CC1=[N+](C2=C(C1(C)C)C3=CC=CC=C3C=C2)CCCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C26H25N2O2/c1-17-26(2,3)23-19-10-5-4-9-18(19)13-14-22(23)27(17)15-8-16-28-24(29)20-11-6-7-12-21(20)25(28)30/h4-7,9-14H,8,15-16H2,1-3H3/q+1