(6-carbamimidoylnaphthalen-2-yl) 3-methylbutanoate; methanesulfonate

Systemtic Name: (6-carbamimidoylnaphthalen-2-yl) 3-methylbutanoate; methanesulfonate Openeye Name: (6-carbamimidoyl-2-naphthyl) 3-methylbutanoate; methanesulfonate CAS Name: methanesulfonate; 3-methylbutanoic acid (6-carbamimidoyl-2-naphthalenyl) ester IUPAC Name: (6-carbamimidoylnaphthalen-2-yl) 3-methylbutanoate; methanesulfonate Traditional Name: 3-methylbutyric acid (6-amidino-2-naphthyl) ester mesylate Formula: C17H21N2O5S- MolecularWeight: 365.42404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)OC1=CC2=C(C=C1)C=C(C=C2)C(=N)N.CS(=O)(=O)[O-]

Isomeric SMILES

CC(C)CC(=O)OC1=CC2=C(C=C1)C=C(C=C2)C(=N)N.CS(=O)(=O)[O-]

InChI

InChI=1S/C16H18N2O2.CH4O3S/c1-10(2)7-15(19)20-14-6-5-11-8-13(16(17)18)4-3-12(11)9-14;1-5(2,3)4/h3-6,8-10H,7H2,1-2H3,(H3,17,18);1H3,(H,2,3,4)/p-1