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

Systemtic Name: 1-butanoyl-4-methyl-1-[4-[[(4-methyl-3-nitro-pyridin-2-yl)amino]methyl]phenyl]pyrrol-1-ium-2-carbonitrile Openeye Name: 1-butanoyl-4-methyl-1-[4-[[(4-methyl-3-nitro-2-pyridyl)amino]methyl]phenyl]pyrrol-1-ium-2-carbonitrile CAS Name: 4-methyl-1-[4-[[(4-methyl-3-nitro-2-pyridinyl)amino]methyl]phenyl]-1-(1-oxobutyl)-2-pyrrol-1-iumcarbonitrile IUPAC Name: 1-butanoyl-4-methyl-1-[4-[[(4-methyl-3-nitropyridin-2-yl)amino]methyl]phenyl]pyrrol-1-ium-2-carbonitrile Traditional Name: 1-butyryl-4-methyl-1-[4-[[(4-methyl-3-nitro-2-pyridyl)amino]methyl]phenyl]pyrrol-1-ium-2-carbonitrile Formula: C23H24N5O3+ MolecularWeight: 418.46836

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)[N+]1(C=C(C=C1C#N)C)C2=CC=C(C=C2)CNC3=NC=CC(=C3[N+](=O)[O-])C

Isomeric SMILES

CCCC(=O)[N+]1(C=C(C=C1C#N)C)C2=CC=C(C=C2)CNC3=NC=CC(=C3[N+](=O)[O-])C

InChI

InChI=1S/C23H24N5O3/c1-4-5-21(29)28(15-16(2)12-20(28)13-24)19-8-6-18(7-9-19)14-26-23-22(27(30)31)17(3)10-11-25-23/h6-12,15H,4-5,14H2,1-3H3,(H,25,26)/q+1