2-[4-(1,1,2-trimethylbenzo[e]indol-3-ium-3-yl)butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-(1,1,2-trimethylbenzo[e]indol-3-ium-3-yl)butyl]isoindole-1,3-dione Openeye Name: 2-[4-(1,1,2-trimethylbenzo[e]indol-3-ium-3-yl)butyl]isoindoline-1,3-dione CAS Name: 2-[4-(1,1,2-trimethyl-3-benzo[e]indol-3-iumyl)butyl]isoindole-1,3-dione IUPAC Name: 2-[4-(1,1,2-trimethylbenzo[e]indol-3-ium-3-yl)butyl]isoindole-1,3-dione Traditional Name: 2-[4-(1,1,2-trimethylbenz[e]indol-3-ium-3-yl)butyl]isoindoline-1,3-quinone Formula: C27H27N2O2+ MolecularWeight: 411.51548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(C1(C)C)C3=CC=CC=C3C=C2)CCCCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CC1=[N+](C2=C(C1(C)C)C3=CC=CC=C3C=C2)CCCCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C27H27N2O2/c1-18-27(2,3)24-20-11-5-4-10-19(20)14-15-23(24)28(18)16-8-9-17-29-25(30)21-12-6-7-13-22(21)26(29)31/h4-7,10-15H,8-9,16-17H2,1-3H3/q+1