(6-carbamimidoylnaphthalen-2-yl) 4-azanylbenzoate; methanesulfonic acid

Systemtic Name: (6-carbamimidoylnaphthalen-2-yl) 4-azanylbenzoate; methanesulfonic acid Openeye Name: (6-carbamimidoyl-2-naphthyl) 4-aminobenzoate; methanesulfonic acid CAS Name: 4-aminobenzoic acid (6-carbamimidoyl-2-naphthalenyl) ester; methanesulfonic acid IUPAC Name: (6-carbamimidoylnaphthalen-2-yl) 4-aminobenzoate; methanesulfonic acid Traditional Name: 4-aminobenzoic acid (6-amidino-2-naphthyl) ester; mesylic acid Formula: C20H23N3O8S2 MolecularWeight: 497.54192

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.CS(=O)(=O)O.C1=CC(=CC=C1C(=O)OC2=CC3=C(C=C2)C=C(C=C3)C(=N)N)N

Isomeric SMILES

CS(=O)(=O)O.CS(=O)(=O)O.C1=CC(=CC=C1C(=O)OC2=CC3=C(C=C2)C=C(C=C3)C(=N)N)N

InChI

InChI=1S/C18H15N3O2.2CH4O3S/c19-15-6-3-11(4-7-15)18(22)23-16-8-5-12-9-14(17(20)21)2-1-13(12)10-16;2*1-5(2,3)4/h1-10H,19H2,(H3,20,21);2*1H3,(H,2,3,4)