methanesulfonate; naphthalen-2-yl 4-(2-carbamimidoylphenyl)butanoate

Systemtic Name: methanesulfonate; naphthalen-2-yl 4-(2-carbamimidoylphenyl)butanoate Openeye Name: methanesulfonate; 2-naphthyl 4-(2-carbamimidoylphenyl)butanoate CAS Name: 4-(2-carbamimidoylphenyl)butanoic acid 2-naphthalenyl ester; methanesulfonate IUPAC Name: methanesulfonate; naphthalen-2-yl 4-(2-carbamimidoylphenyl)butanoate Traditional Name: 4-(2-amidinophenyl)butyric acid 2-naphthyl ester mesylate Formula: C22H23N2O5S- MolecularWeight: 427.49342

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].C1=CC=C2C=C(C=CC2=C1)OC(=O)CCCC3=CC=CC=C3C(=N)N

Isomeric SMILES

CS(=O)(=O)[O-].C1=CC=C2C=C(C=CC2=C1)OC(=O)CCCC3=CC=CC=C3C(=N)N

InChI

InChI=1S/C21H20N2O2.CH4O3S/c22-21(23)19-10-4-3-7-16(19)9-5-11-20(24)25-18-13-12-15-6-1-2-8-17(15)14-18;1-5(2,3)4/h1-4,6-8,10,12-14H,5,9,11H2,(H3,22,23);1H3,(H,2,3,4)/p-1