methyl 6-ethanoyl-1-phenyl-5-(phenylmethyl)pyrrolo[2,3-b]pyrazin-1-ium-2-carboxylate

Systemtic Name: methyl 6-ethanoyl-1-phenyl-5-(phenylmethyl)pyrrolo[2,3-b]pyrazin-1-ium-2-carboxylate Openeye Name: methyl 6-acetyl-5-benzyl-1-phenyl-pyrrolo[2,3-b]pyrazin-1-ium-2-carboxylate CAS Name: 6-acetyl-1-phenyl-5-(phenylmethyl)-2-pyrrolo[2,3-b]pyrazin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 6-acetyl-5-benzyl-1-phenylpyrrolo[2,3-b]pyrazin-1-ium-2-carboxylate Traditional Name: 6-acetyl-5-benzyl-1-phenyl-pyrrolo[2,3-b]pyrazin-1-ium-2-carboxylic acid methyl ester Formula: C23H20N3O3+ MolecularWeight: 386.4232

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=[N+](C(=CN=C2N1CC3=CC=CC=C3)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=CC2=[N+](C(=CN=C2N1CC3=CC=CC=C3)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C23H20N3O3/c1-16(27)19-13-20-22(25(19)15-17-9-5-3-6-10-17)24-14-21(23(28)29-2)26(20)18-11-7-4-8-12-18/h3-14H,15H2,1-2H3/q+1