(6-carbamimidoylnaphthalen-2-yl) 5-[[(4-azanyl-4-oxidanylidene-butanoyl)amino]methyl]furan-2-carboxylate hydrochloride

Systemtic Name: (6-carbamimidoylnaphthalen-2-yl) 5-[[(4-azanyl-4-oxidanylidene-butanoyl)amino]methyl]furan-2-carboxylate hydrochloride Openeye Name: (6-carbamimidoyl-2-naphthyl) 5-[[(4-amino-4-oxo-butanoyl)amino]methyl]furan-2-carboxylate hydrochloride CAS Name: 5-[[(4-amino-1,4-dioxobutyl)amino]methyl]-2-furancarboxylic acid (6-carbamimidoyl-2-naphthalenyl) ester hydrochloride IUPAC Name: (6-carbamimidoylnaphthalen-2-yl) 5-[[(4-amino-4-oxobutanoyl)amino]methyl]furan-2-carboxylate hydrochloride Traditional Name: 5-[[(4-amino-4-keto-butanoyl)amino]methyl]furan-2-carboxylic acid (6-amidino-2-naphthyl) ester hydrochloride Formula: C21H21ClN4O5 MolecularWeight: 444.86824

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2)OC(=O)C3=CC=C(O3)CNC(=O)CCC(=O)N)C=C1C(=N)N.Cl

Isomeric SMILES

C1=CC2=C(C=CC(=C2)OC(=O)C3=CC=C(O3)CNC(=O)CCC(=O)N)C=C1C(=N)N.Cl

InChI

InChI=1S/C21H20N4O5.ClH/c22-18(26)7-8-19(27)25-11-16-5-6-17(29-16)21(28)30-15-4-3-12-9-14(20(23)24)2-1-13(12)10-15;/h1-6,9-10H,7-8,11H2,(H2,22,26)(H3,23,24)(H,25,27);1H