3-(1-methylindol-3-yl)-4-[1-[(1-methylpiperidin-4-yl)methylidene]indol-1-ium-3-yl]pyrrole-2,5-dione

Systemtic Name: 3-(1-methylindol-3-yl)-4-[1-[(1-methylpiperidin-4-yl)methylidene]indol-1-ium-3-yl]pyrrole-2,5-dione Openeye Name: 3-(1-methylindol-3-yl)-4-[1-[(1-methyl-4-piperidyl)methylene]indol-1-ium-3-yl]pyrrole-2,5-dione CAS Name: 3-(1-methyl-3-indolyl)-4-[1-[(1-methyl-4-piperidinyl)methylidene]-3-indol-1-iumyl]pyrrole-2,5-dione IUPAC Name: 3-(1-methylindol-3-yl)-4-[1-[(1-methylpiperidin-4-yl)methylidene]indol-1-ium-3-yl]pyrrole-2,5-dione Traditional Name: 3-(1-methylindol-3-yl)-4-[1-[(1-methyl-4-piperidyl)methylene]indol-1-ium-3-yl]-3-pyrroline-2,5-quinone Formula: C28H27N4O2+ MolecularWeight: 451.53958

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)C=[N+]2C=C(C3=CC=CC=C32)C4=C(C(=O)NC4=O)C5=CN(C6=CC=CC=C65)C

Isomeric SMILES

CN1CCC(CC1)C=[N+]2C=C(C3=CC=CC=C32)C4=C(C(=O)NC4=O)C5=CN(C6=CC=CC=C65)C

InChI

InChI=1S/C28H26N4O2/c1-30-13-11-18(12-14-30)15-32-17-22(20-8-4-6-10-24(20)32)26-25(27(33)29-28(26)34)21-16-31(2)23-9-5-3-7-19(21)23/h3-10,15-18H,11-14H2,1-2H3/p+1