3-(1H-indol-3-yl)-4-[1-[2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]indol-3-yl]pyrrole-2,5-dione

Systemtic Name: 3-(1H-indol-3-yl)-4-[1-[2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]indol-3-yl]pyrrole-2,5-dione Openeye Name: 3-(1H-indol-3-yl)-4-[1-[2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]indol-3-yl]pyrrole-2,5-dione CAS Name: 3-(1H-indol-3-yl)-4-[1-[2-(1-methyl-1-pyrrolidin-1-iumyl)ethyl]-3-indolyl]pyrrole-2,5-dione IUPAC Name: 3-(1H-indol-3-yl)-4-[1-[2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]indol-3-yl]pyrrole-2,5-dione Traditional Name: 3-(1H-indol-3-yl)-4-[1-[2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]indol-3-yl]-3-pyrroline-2,5-quinone Formula: C27H27N4O2+ MolecularWeight: 439.52888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC1)CCN2C=C(C3=CC=CC=C32)C4=C(C(=O)NC4=O)C5=CNC6=CC=CC=C65

Isomeric SMILES

C[N+]1(CCCC1)CCN2C=C(C3=CC=CC=C32)C4=C(C(=O)NC4=O)C5=CNC6=CC=CC=C65

InChI

InChI=1S/C27H26N4O2/c1-31(13-6-7-14-31)15-12-30-17-21(19-9-3-5-11-23(19)30)25-24(26(32)29-27(25)33)20-16-28-22-10-4-2-8-18(20)22/h2-5,8-11,16-17H,6-7,12-15H2,1H3,(H-,28,29,32,33)/p+1