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

Systemtic Name: 6-[3-(acetamidomethyl)furan-2-yl]carbonyloxy-2-carbamimidoyl-naphthalene-1-carboxylic acid hydrochloride Openeye Name: 6-[3-(acetamidomethyl)furan-2-carbonyl]oxy-2-carbamimidoyl-naphthalene-1-carboxylic acid hydrochloride CAS Name: 6-[[3-(acetamidomethyl)-2-furanyl]-oxomethoxy]-2-carbamimidoyl-1-naphthalenecarboxylic acid hydrochloride IUPAC Name: 6-[3-(acetamidomethyl)furan-2-carbonyl]oxy-2-carbamimidoylnaphthalene-1-carboxylic acid hydrochloride Traditional Name: 6-[3-(acetamidomethyl)-2-furoyl]oxy-2-amidino-1-naphthoic acid hydrochloride Formula: C20H18ClN3O6 MolecularWeight: 431.82642

Click to see the large picture

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.Cl

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.Cl

InChI

InChI=1S/C20H17N3O6.ClH/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;/h2-8H,9H2,1H3,(H3,21,22)(H,23,24)(H,25,26);1H