methanesulfonate; naphthalen-2-yl 2-carbamimidoyl-5-methyl-4-nitro-benzoate

Systemtic Name: methanesulfonate; naphthalen-2-yl 2-carbamimidoyl-5-methyl-4-nitro-benzoate Openeye Name: methanesulfonate; 2-naphthyl 2-carbamimidoyl-5-methyl-4-nitro-benzoate CAS Name: 2-carbamimidoyl-5-methyl-4-nitrobenzoic acid 2-naphthalenyl ester; methanesulfonate IUPAC Name: methanesulfonate; naphthalen-2-yl 2-carbamimidoyl-5-methyl-4-nitrobenzoate Traditional Name: 2-amidino-5-methyl-4-nitro-benzoic acid 2-naphthyl ester mesylate Formula: C20H18N3O7S- MolecularWeight: 444.43782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15N3O4.CH4O3S/c1-11-8-16(15(18(20)21)10-17(11)22(24)25)19(23)26-14-7-6-12-4-2-3-5-13(12)9-14;1-5(2,3)4/h2-10H,1H3,(H3,20,21);1H3,(H,2,3,4)/p-1