4-(phenylmethyl)pyrazin-4-ium-2-carboxamide

Systemtic Name: 4-(phenylmethyl)pyrazin-4-ium-2-carboxamide Openeye Name: 4-benzylpyrazin-4-ium-2-carboxamide CAS Name: 4-(phenylmethyl)-2-pyrazin-4-iumcarboxamide IUPAC Name: 4-benzylpyrazin-4-ium-2-carboxamide Traditional Name: 4-benzylpyrazin-4-ium-2-carboxamide Formula: C12H12N3O+ MolecularWeight: 214.24318

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=CC(=NC=C2)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=CC(=NC=C2)C(=O)N

InChI

InChI=1S/C12H11N3O/c13-12(16)11-9-15(7-6-14-11)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H-,13,16)/p+1