1-(furan-2-ylmethyl)-2-(morpholin-4-ium-4-ylidenemethylamino)-4,5-diphenyl-pyrrole-3-carbonitrile

Systemtic Name: 1-(furan-2-ylmethyl)-2-(morpholin-4-ium-4-ylidenemethylamino)-4,5-diphenyl-pyrrole-3-carbonitrile Openeye Name: 1-(2-furylmethyl)-2-(morpholin-4-ium-4-ylidenemethylamino)-4,5-diphenyl-pyrrole-3-carbonitrile CAS Name: 1-(2-furanylmethyl)-2-(4-morpholin-4-iumylidenemethylamino)-4,5-diphenyl-3-pyrrolecarbonitrile IUPAC Name: 1-(furan-2-ylmethyl)-2-(morpholin-4-ium-4-ylidenemethylamino)-4,5-diphenylpyrrole-3-carbonitrile Traditional Name: 1-(2-furfuryl)-2-(morpholin-4-ium-4-ylidenemethylamino)-4,5-diphenyl-pyrrole-3-carbonitrile Formula: C27H25N4O2+ MolecularWeight: 437.513

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[N+]1=CNC2=C(C(=C(N2CC3=CC=CO3)C4=CC=CC=C4)C5=CC=CC=C5)C#N

Isomeric SMILES

C1COCC[N+]1=CNC2=C(C(=C(N2CC3=CC=CO3)C4=CC=CC=C4)C5=CC=CC=C5)C#N

InChI

InChI=1S/C27H24N4O2/c28-18-24-25(21-8-3-1-4-9-21)26(22-10-5-2-6-11-22)31(19-23-12-7-15-33-23)27(24)29-20-30-13-16-32-17-14-30/h1-12,15,20H,13-14,16-17,19H2/p+1