methanesulfonate; naphthalen-2-yl 3-(2-carbamimidoylphenyl)propanoate

Systemtic Name: methanesulfonate; naphthalen-2-yl 3-(2-carbamimidoylphenyl)propanoate Openeye Name: methanesulfonate; 2-naphthyl 3-(2-carbamimidoylphenyl)propanoate CAS Name: 3-(2-carbamimidoylphenyl)propanoic acid 2-naphthalenyl ester; methanesulfonate IUPAC Name: methanesulfonate; naphthalen-2-yl 3-(2-carbamimidoylphenyl)propanoate Traditional Name: 3-(2-amidinophenyl)propionic acid 2-naphthyl ester mesylate Formula: C21H21N2O5S- MolecularWeight: 413.46684

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].C1=CC=C2C=C(C=CC2=C1)OC(=O)CCC3=CC=CC=C3C(=N)N

Isomeric SMILES

CS(=O)(=O)[O-].C1=CC=C2C=C(C=CC2=C1)OC(=O)CCC3=CC=CC=C3C(=N)N

InChI

InChI=1S/C20H18N2O2.CH4O3S/c21-20(22)18-8-4-3-6-15(18)10-12-19(23)24-17-11-9-14-5-1-2-7-16(14)13-17;1-5(2,3)4/h1-9,11,13H,10,12H2,(H3,21,22);1H3,(H,2,3,4)/p-1