methyl (NZ)-N-[2-cyano-6-phenyl-4-(phenylmethyl)-2H-pyrazin-4-ium-3-ylidene]carbamate

Systemtic Name: methyl (NZ)-N-[2-cyano-6-phenyl-4-(phenylmethyl)-2H-pyrazin-4-ium-3-ylidene]carbamate Openeye Name: methyl (NZ)-N-(4-benzyl-2-cyano-6-phenyl-2H-pyrazin-4-ium-3-ylidene)carbamate CAS Name: (NZ)-N-[2-cyano-6-phenyl-4-(phenylmethyl)-2H-pyrazin-4-ium-3-ylidene]carbamic acid methyl ester IUPAC Name: methyl (NZ)-N-(4-benzyl-2-cyano-6-phenyl-2H-pyrazin-4-ium-3-ylidene)carbamate Traditional Name: (NZ)-N-(4-benzyl-2-cyano-6-phenyl-2H-pyrazin-4-ium-3-ylidene)carbamic acid methyl ester Formula: C20H17N4O2+ MolecularWeight: 345.37458

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N=C1C(N=C(C=[N+]1CC2=CC=CC=C2)C3=CC=CC=C3)C#N

Isomeric SMILES

COC(=O)/N=C\1/C(N=C(C=[N+]1CC2=CC=CC=C2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C20H17N4O2/c1-26-20(25)23-19-17(12-21)22-18(16-10-6-3-7-11-16)14-24(19)13-15-8-4-2-5-9-15/h2-11,14,17H,13H2,1H3/q+1/b23-19-