3-[methyl-[4-[5-methyl-4-(4-methylphenyl)-1-oxidanidyl-3-oxidanyl-imidazol-1-ium-2-yl]phenyl]amino]propanenitrile

Systemtic Name: 3-[methyl-[4-[5-methyl-4-(4-methylphenyl)-1-oxidanidyl-3-oxidanyl-imidazol-1-ium-2-yl]phenyl]amino]propanenitrile Openeye Name: 3-[4-[1-hydroxy-4-methyl-3-oxido-5-(p-tolyl)imidazol-3-ium-2-yl]-N-methyl-anilino]propanenitrile CAS Name: 3-[4-[1-hydroxy-4-methyl-5-(4-methylphenyl)-3-oxido-2-imidazol-3-iumyl]-N-methylanilino]propanenitrile IUPAC Name: 3-[4-[1-hydroxy-4-methyl-5-(4-methylphenyl)-3-oxidoimidazol-3-ium-2-yl]-N-methylanilino]propanenitrile Traditional Name: 3-[4-[1-hydroxy-4-methyl-3-oxido-5-(p-tolyl)imidazol-3-ium-2-yl]-N-methyl-anilino]propionitrile Formula: C21H22N4O2 MolecularWeight: 362.42498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C([N+](=C(N2O)C3=CC=C(C=C3)N(C)CCC#N)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C([N+](=C(N2O)C3=CC=C(C=C3)N(C)CCC#N)[O-])C

InChI

InChI=1S/C21H22N4O2/c1-15-5-7-17(8-6-15)20-16(2)24(26)21(25(20)27)18-9-11-19(12-10-18)23(3)14-4-13-22/h5-12,27H,4,14H2,1-3H3