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

Systemtic Name: 1-butanoyl-4-chloranyl-1-[4-[[(4-methyl-3-nitro-pyridin-2-yl)amino]methyl]phenyl]pyrrol-1-ium-2-carbonitrile Openeye Name: 1-butanoyl-4-chloro-1-[4-[[(4-methyl-3-nitro-2-pyridyl)amino]methyl]phenyl]pyrrol-1-ium-2-carbonitrile CAS Name: 4-chloro-1-[4-[[(4-methyl-3-nitro-2-pyridinyl)amino]methyl]phenyl]-1-(1-oxobutyl)-2-pyrrol-1-iumcarbonitrile IUPAC Name: 1-butanoyl-4-chloro-1-[4-[[(4-methyl-3-nitropyridin-2-yl)amino]methyl]phenyl]pyrrol-1-ium-2-carbonitrile Traditional Name: 1-butyryl-4-chloro-1-[4-[[(4-methyl-3-nitro-2-pyridyl)amino]methyl]phenyl]pyrrol-1-ium-2-carbonitrile Formula: C22H21ClN5O3+ MolecularWeight: 438.88684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN5O3/c1-3-4-20(29)28(14-17(23)11-19(28)12-24)18-7-5-16(6-8-18)13-26-22-21(27(30)31)15(2)9-10-25-22/h5-11,14H,3-4,13H2,1-2H3,(H,25,26)/q+1