(6-carbamimidoylnaphthalen-2-yl) 4-[(N,N'-dimethylcarbamimidoyl)amino]benzoate; methanesulfonic acid

Systemtic Name: (6-carbamimidoylnaphthalen-2-yl) 4-[(N,N'-dimethylcarbamimidoyl)amino]benzoate; methanesulfonic acid Openeye Name: (6-carbamimidoyl-2-naphthyl) 4-[(N,N'-dimethylcarbamimidoyl)amino]benzoate; methanesulfonic acid CAS Name: methanesulfonic acid; 4-[[methylamino(methylimino)methyl]amino]benzoic acid (6-carbamimidoyl-2-naphthalenyl) ester IUPAC Name: (6-carbamimidoylnaphthalen-2-yl) 4-[(N,N'-dimethylcarbamimidoyl)amino]benzoate; methanesulfonic acid Traditional Name: 4-[(N,N'-dimethylamidino)amino]benzoic acid (6-amidino-2-naphthyl) ester; mesylic acid Formula: C23H29N5O8S2 MolecularWeight: 567.63506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=NC)NC1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C=C(C=C3)C(=N)N.CS(=O)(=O)O.CS(=O)(=O)O

Isomeric SMILES

CNC(=NC)NC1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C=C(C=C3)C(=N)N.CS(=O)(=O)O.CS(=O)(=O)O

InChI

InChI=1S/C21H21N5O2.2CH4O3S/c1-24-21(25-2)26-17-8-5-13(6-9-17)20(27)28-18-10-7-14-11-16(19(22)23)4-3-15(14)12-18;2*1-5(2,3)4/h3-12H,1-2H3,(H3,22,23)(H2,24,25,26);2*1H3,(H,2,3,4)