3-azanyl-4-[(E)-2-(4-carbamimidoylphenyl)ethenyl]benzenecarboximidamide; methanesulfonic acid

Systemtic Name: 3-azanyl-4-[(E)-2-(4-carbamimidoylphenyl)ethenyl]benzenecarboximidamide; methanesulfonic acid Openeye Name: 3-amino-4-[(E)-2-(4-carbamimidoylphenyl)vinyl]benzamidine; methanesulfonic acid CAS Name: 3-amino-4-[(E)-2-(4-carbamimidoylphenyl)ethenyl]benzenecarboximidamide; methanesulfonic acid IUPAC Name: 3-amino-4-[(E)-2-(4-carbamimidoylphenyl)ethenyl]benzenecarboximidamide; methanesulfonic acid Traditional Name: 4-[(E)-2-(4-amidinophenyl)vinyl]-3-amino-benzamidine; mesylic acid Formula: C17H21N5O3S MolecularWeight: 375.44534

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1=CC(=CC=C1C=CC2=C(C=C(C=C2)C(=N)N)N)C(=N)N

Isomeric SMILES

CS(=O)(=O)O.C1=CC(=CC=C1/C=C/C2=C(C=C(C=C2)C(=N)N)N)C(=N)N

InChI

InChI=1S/C16H17N5.CH4O3S/c17-14-9-13(16(20)21)8-7-11(14)4-1-10-2-5-12(6-3-10)15(18)19;1-5(2,3)4/h1-9H,17H2,(H3,18,19)(H3,20,21);1H3,(H,2,3,4)/b4-1+;