[2-[[(4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-yl)carbonylamino]methyl]phenyl]methyl-diethyl-azanium

Systemtic Name: [2-[[(4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-yl)carbonylamino]methyl]phenyl]methyl-diethyl-azanium Openeye Name: [2-[[(4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carbonyl)amino]methyl]phenyl]methyl-diethyl-ammonium CAS Name: [2-[[[[4-cyano-2-methyl-5-(1-pyrrolyl)-3-furanyl]-oxomethyl]amino]methyl]phenyl]methyl-diethylammonium IUPAC Name: [2-[[(4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carbonyl)amino]methyl]phenyl]methyl-diethylazanium Traditional Name: [2-[[(4-cyano-2-methyl-5-pyrrol-1-yl-3-furoyl)amino]methyl]benzyl]-diethyl-ammonium Formula: C23H27N4O2+ MolecularWeight: 391.48608

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=CC=C1CNC(=O)C2=C(OC(=C2C#N)N3C=CC=C3)C

Isomeric SMILES

CC[NH+](CC)CC1=CC=CC=C1CNC(=O)C2=C(OC(=C2C#N)N3C=CC=C3)C

InChI

InChI=1S/C23H26N4O2/c1-4-26(5-2)16-19-11-7-6-10-18(19)15-25-22(28)21-17(3)29-23(20(21)14-24)27-12-8-9-13-27/h6-13H,4-5,15-16H2,1-3H3,(H,25,28)/p+1