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

Systemtic Name: [2-[[(4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-yl)carbonylamino]methyl]phenyl]methyl-dimethyl-azanium Openeye Name: [2-[[(4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carbonyl)amino]methyl]phenyl]methyl-dimethyl-ammonium CAS Name: [2-[[[[4-cyano-2-methyl-5-(1-pyrrolyl)-3-furanyl]-oxomethyl]amino]methyl]phenyl]methyl-dimethylammonium IUPAC Name: [2-[[(4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carbonyl)amino]methyl]phenyl]methyl-dimethylazanium Traditional Name: [2-[[(4-cyano-2-methyl-5-pyrrol-1-yl-3-furoyl)amino]methyl]benzyl]-dimethyl-ammonium Formula: C21H23N4O2+ MolecularWeight: 363.43292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(O1)N2C=CC=C2)C#N)C(=O)NCC3=CC=CC=C3C[NH+](C)C

Isomeric SMILES

CC1=C(C(=C(O1)N2C=CC=C2)C#N)C(=O)NCC3=CC=CC=C3C[NH+](C)C

InChI

InChI=1S/C21H22N4O2/c1-15-19(18(12-22)21(27-15)25-10-6-7-11-25)20(26)23-13-16-8-4-5-9-17(16)14-24(2)3/h4-11H,13-14H2,1-3H3,(H,23,26)/p+1