4-[bis(azanyl)methylideneamino]-2-carbamimidoyl-6-naphthalen-1-yl-benzoic acid; methanesulfonic acid

Systemtic Name: 4-[bis(azanyl)methylideneamino]-2-carbamimidoyl-6-naphthalen-1-yl-benzoic acid; methanesulfonic acid Openeye Name: 2-carbamimidoyl-4-guanidino-6-(1-naphthyl)benzoic acid; methanesulfonic acid CAS Name: 2-carbamimidoyl-4-(diaminomethylideneamino)-6-(1-naphthalenyl)benzoic acid; methanesulfonic acid IUPAC Name: 2-carbamimidoyl-4-(diaminomethylideneamino)-6-naphthalen-1-ylbenzoic acid; methanesulfonic acid Traditional Name: 2-amidino-4-guanidino-6-(1-naphthyl)benzoic acid; mesylic acid Formula: C20H21N5O5S MolecularWeight: 443.47624

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1=CC=C2C(=C1)C=CC=C2C3=CC(=CC(=C3C(=O)O)C(=N)N)N=C(N)N

Isomeric SMILES

CS(=O)(=O)O.C1=CC=C2C(=C1)C=CC=C2C3=CC(=CC(=C3C(=O)O)C(=N)N)N=C(N)N

InChI

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