(2-azanyl-2-azanylidene-ethyl)-phenyl-[phenyl(phenylazanyl)methylidene]azanium; benzenecarboximidamide

Systemtic Name: (2-azanyl-2-azanylidene-ethyl)-phenyl-[phenyl(phenylazanyl)methylidene]azanium; benzenecarboximidamide Openeye Name: (2-amino-2-imino-ethyl)-[anilino(phenyl)methylene]-phenyl-ammonium; benzamidine CAS Name: (2-amino-2-iminoethyl)-[anilino(phenyl)methylidene]-phenylammonium; benzenecarboximidamide IUPAC Name: (2-amino-2-iminoethyl)-[anilino(phenyl)methylidene]-phenylazanium; benzenecarboximidamide Traditional Name: (2-amino-2-imino-ethyl)-[anilino(phenyl)methylene]-phenyl-ammonium; benzamidine Formula: C28H29N6+ MolecularWeight: 449.57006

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=N)N.C1=CC=C(C=C1)C(=[N+](CC(=N)N)C2=CC=CC=C2)NC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(=N)N.C1=CC=C(C=C1)C(=[N+](CC(=N)N)C2=CC=CC=C2)NC3=CC=CC=C3

InChI

InChI=1S/C21H20N4.C7H8N2/c22-20(23)16-25(19-14-8-3-9-15-19)21(17-10-4-1-5-11-17)24-18-12-6-2-7-13-18;8-7(9)6-4-2-1-3-5-6/h1-15H,16H2,(H3,22,23);1-5H,(H3,8,9)/p+1