1-(1-butylindol-1-ium-1-yl)-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butane-1,4-dione

Systemtic Name: 1-(1-butylindol-1-ium-1-yl)-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butane-1,4-dione Openeye Name: 1-(1-butylindol-1-ium-1-yl)-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butane-1,4-dione CAS Name: 1-(1-butyl-1-indol-1-iumyl)-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butane-1,4-dione IUPAC Name: 1-(1-butylindol-1-ium-1-yl)-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butane-1,4-dione Traditional Name: 1-(1-butylindol-1-ium-1-yl)-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butane-1,4-dione Formula: C27H31N2O2+ MolecularWeight: 415.54724

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(C=CC2=CC=CC=C21)C(=O)CCC(=O)N3CCC(=CC3)C4=CC=CC=C4

Isomeric SMILES

CCCC[N+]1(C=CC2=CC=CC=C21)C(=O)CCC(=O)N3CCC(=CC3)C4=CC=CC=C4

InChI

InChI=1S/C27H31N2O2/c1-2-3-20-29(21-17-24-11-7-8-12-25(24)29)27(31)14-13-26(30)28-18-15-23(16-19-28)22-9-5-4-6-10-22/h4-12,15,17,21H,2-3,13-14,16,18-20H2,1H3/q+1