(6-carbamimidoylnaphthalen-2-yl) 4-azanyl-3-methyl-benzoate; methanesulfonic acid

Systemtic Name: (6-carbamimidoylnaphthalen-2-yl) 4-azanyl-3-methyl-benzoate; methanesulfonic acid Openeye Name: (6-carbamimidoyl-2-naphthyl) 4-amino-3-methyl-benzoate; methanesulfonic acid CAS Name: 4-amino-3-methylbenzoic acid (6-carbamimidoyl-2-naphthalenyl) ester; methanesulfonic acid IUPAC Name: (6-carbamimidoylnaphthalen-2-yl) 4-amino-3-methylbenzoate; methanesulfonic acid Traditional Name: 4-amino-3-methyl-benzoic acid (6-amidino-2-naphthyl) ester; mesylic acid Formula: C21H25N3O8S2 MolecularWeight: 511.5685

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC2=CC3=C(C=C2)C=C(C=C3)C(=N)N)N.CS(=O)(=O)O.CS(=O)(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC2=CC3=C(C=C2)C=C(C=C3)C(=N)N)N.CS(=O)(=O)O.CS(=O)(=O)O

InChI

InChI=1S/C19H17N3O2.2CH4O3S/c1-11-8-15(5-7-17(11)20)19(23)24-16-6-4-12-9-14(18(21)22)3-2-13(12)10-16;2*1-5(2,3)4/h2-10H,20H2,1H3,(H3,21,22);2*1H3,(H,2,3,4)