4-[bis(azanyl)methylideneamino]-2-(1-carbamimidoylnaphthalen-2-yl)benzoate; methanesulfonate

Systemtic Name: 4-[bis(azanyl)methylideneamino]-2-(1-carbamimidoylnaphthalen-2-yl)benzoate; methanesulfonate Openeye Name: 2-(1-carbamimidoyl-2-naphthyl)-4-guanidino-benzoate; methanesulfonate CAS Name: 2-(1-carbamimidoyl-2-naphthalenyl)-4-(diaminomethylideneamino)benzoate; methanesulfonate IUPAC Name: 2-(1-carbamimidoylnaphthalen-2-yl)-4-(diaminomethylideneamino)benzoate; methanesulfonate Traditional Name: 2-(1-amidino-2-naphthyl)-4-guanidino-benzoate trimesylate Formula: C22H25N5O11S3-4 MolecularWeight: 631.6558

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].CS(=O)(=O)[O-].CS(=O)(=O)[O-].C1=CC=C2C(=C1)C=CC(=C2C(=N)N)C3=C(C=CC(=C3)N=C(N)N)C(=O)[O-]

Isomeric SMILES

CS(=O)(=O)[O-].CS(=O)(=O)[O-].CS(=O)(=O)[O-].C1=CC=C2C(=C1)C=CC(=C2C(=N)N)C3=C(C=CC(=C3)N=C(N)N)C(=O)[O-]

InChI

InChI=1S/C19H17N5O2.3CH4O3S/c20-17(21)16-12-4-2-1-3-10(12)5-7-13(16)15-9-11(24-19(22)23)6-8-14(15)18(25)26;3*1-5(2,3)4/h1-9H,(H3,20,21)(H,25,26)(H4,22,23,24);3*1H3,(H,2,3,4)/p-4