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

Systemtic Name: [4-[2-[[(4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-yl)carbonylamino]methyl]phenyl]phenyl]methyl-dimethyl-azanium Openeye Name: [4-[2-[[(4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carbonyl)amino]methyl]phenyl]phenyl]methyl-dimethyl-ammonium CAS Name: [4-[2-[[[[4-cyano-2-methyl-5-(1-pyrrolyl)-3-furanyl]-oxomethyl]amino]methyl]phenyl]phenyl]methyl-dimethylammonium IUPAC Name: [4-[2-[[(4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carbonyl)amino]methyl]phenyl]phenyl]methyl-dimethylazanium Traditional Name: [4-[2-[[(4-cyano-2-methyl-5-pyrrol-1-yl-3-furoyl)amino]methyl]phenyl]benzyl]-dimethyl-ammonium Formula: C27H27N4O2+ MolecularWeight: 439.52888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(O1)N2C=CC=C2)C#N)C(=O)NCC3=CC=CC=C3C4=CC=C(C=C4)C[NH+](C)C

Isomeric SMILES

CC1=C(C(=C(O1)N2C=CC=C2)C#N)C(=O)NCC3=CC=CC=C3C4=CC=C(C=C4)C[NH+](C)C

InChI

InChI=1S/C27H26N4O2/c1-19-25(24(16-28)27(33-19)31-14-6-7-15-31)26(32)29-17-22-8-4-5-9-23(22)21-12-10-20(11-13-21)18-30(2)3/h4-15H,17-18H2,1-3H3,(H,29,32)/p+1