methanesulfonate; naphthalen-2-yl 2-carbamimidoyl-5-methyl-benzoate

Systemtic Name: methanesulfonate; naphthalen-2-yl 2-carbamimidoyl-5-methyl-benzoate Openeye Name: methanesulfonate; 2-naphthyl 2-carbamimidoyl-5-methyl-benzoate CAS Name: 2-carbamimidoyl-5-methylbenzoic acid 2-naphthalenyl ester; methanesulfonate IUPAC Name: methanesulfonate; naphthalen-2-yl 2-carbamimidoyl-5-methylbenzoate Traditional Name: 2-amidino-5-methyl-benzoic acid 2-naphthyl ester mesylate Formula: C20H19N2O5S- MolecularWeight: 399.44026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=N)N)C(=O)OC2=CC3=CC=CC=C3C=C2.CS(=O)(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C(=N)N)C(=O)OC2=CC3=CC=CC=C3C=C2.CS(=O)(=O)[O-]

InChI

InChI=1S/C19H16N2O2.CH4O3S/c1-12-6-9-16(18(20)21)17(10-12)19(22)23-15-8-7-13-4-2-3-5-14(13)11-15;1-5(2,3)4/h2-11H,1H3,(H3,20,21);1H3,(H,2,3,4)/p-1