1-butanoyl-1-[4-[[(4,6-dimethyl-3-nitro-pyridin-2-yl)amino]methyl]phenyl]-5-methyl-pyrrol-1-ium-2-carbonitrile

Systemtic Name: 1-butanoyl-1-[4-[[(4,6-dimethyl-3-nitro-pyridin-2-yl)amino]methyl]phenyl]-5-methyl-pyrrol-1-ium-2-carbonitrile Openeye Name: 1-butanoyl-1-[4-[[(4,6-dimethyl-3-nitro-2-pyridyl)amino]methyl]phenyl]-5-methyl-pyrrol-1-ium-2-carbonitrile CAS Name: 1-[4-[[(4,6-dimethyl-3-nitro-2-pyridinyl)amino]methyl]phenyl]-5-methyl-1-(1-oxobutyl)-2-pyrrol-1-iumcarbonitrile IUPAC Name: 1-butanoyl-1-[4-[[(4,6-dimethyl-3-nitropyridin-2-yl)amino]methyl]phenyl]-5-methylpyrrol-1-ium-2-carbonitrile Traditional Name: 1-butyryl-1-[4-[[(4,6-dimethyl-3-nitro-2-pyridyl)amino]methyl]phenyl]-5-methyl-pyrrol-1-ium-2-carbonitrile Formula: C24H26N5O3+ MolecularWeight: 432.49494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)[N+]1(C(=CC=C1C#N)C)C2=CC=C(C=C2)CNC3=C(C(=CC(=N3)C)C)[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)[N+]1(C(=CC=C1C#N)C)C2=CC=C(C=C2)CNC3=C(C(=CC(=N3)C)C)[N+](=O)[O-]

InChI

InChI=1S/C24H26N5O3/c1-5-6-22(30)29(18(4)7-10-21(29)14-25)20-11-8-19(9-12-20)15-26-24-23(28(31)32)16(2)13-17(3)27-24/h7-13H,5-6,15H2,1-4H3,(H,26,27)/q+1