methanesulfonate; naphthalen-2-yl 2-carbamimidoyl-4-(dimethylamino)benzoate

Systemtic Name: methanesulfonate; naphthalen-2-yl 2-carbamimidoyl-4-(dimethylamino)benzoate Openeye Name: methanesulfonate; 2-naphthyl 2-carbamimidoyl-4-(dimethylamino)benzoate CAS Name: 2-carbamimidoyl-4-(dimethylamino)benzoic acid 2-naphthalenyl ester; methanesulfonate IUPAC Name: methanesulfonate; naphthalen-2-yl 2-carbamimidoyl-4-(dimethylamino)benzoate Traditional Name: 2-amidino-4-(dimethylamino)benzoic acid 2-naphthyl ester mesylate Formula: C21H22N3O5S- MolecularWeight: 428.48148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O2.CH4O3S/c1-23(2)15-8-10-17(18(12-15)19(21)22)20(24)25-16-9-7-13-5-3-4-6-14(13)11-16;1-5(2,3)4/h3-12H,1-2H3,(H3,21,22);1H3,(H,2,3,4)/p-1