6-[3-(acetamidomethyl)furan-2-yl]carbonyloxy-2-carbamimidoyl-naphthalene-1-carboxylic acid; methanesulfonate

Systemtic Name: 6-[3-(acetamidomethyl)furan-2-yl]carbonyloxy-2-carbamimidoyl-naphthalene-1-carboxylic acid; methanesulfonate Openeye Name: 6-[3-(acetamidomethyl)furan-2-carbonyl]oxy-2-carbamimidoyl-naphthalene-1-carboxylic acid; methanesulfonate CAS Name: 6-[[3-(acetamidomethyl)-2-furanyl]-oxomethoxy]-2-carbamimidoyl-1-naphthalenecarboxylic acid; methanesulfonate IUPAC Name: 6-[3-(acetamidomethyl)furan-2-carbonyl]oxy-2-carbamimidoylnaphthalene-1-carboxylic acid; methanesulfonate Traditional Name: 6-[3-(acetamidomethyl)-2-furoyl]oxy-2-amidino-1-naphthoic acid mesylate Formula: C21H20N3O9S- MolecularWeight: 490.4632

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=C(OC=C1)C(=O)OC2=CC3=C(C=C2)C(=C(C=C3)C(=N)N)C(=O)O.CS(=O)(=O)[O-]

Isomeric SMILES

CC(=O)NCC1=C(OC=C1)C(=O)OC2=CC3=C(C=C2)C(=C(C=C3)C(=N)N)C(=O)O.CS(=O)(=O)[O-]

InChI

InChI=1S/C20H17N3O6.CH4O3S/c1-10(24)23-9-12-6-7-28-17(12)20(27)29-13-3-5-14-11(8-13)2-4-15(18(21)22)16(14)19(25)26;1-5(2,3)4/h2-8H,9H2,1H3,(H3,21,22)(H,23,24)(H,25,26);1H3,(H,2,3,4)/p-1