methanesulfonate; (2-methoxyphenyl) 6-[bis(azanyl)methylideneamino]-4-carbamimidoyl-hexanoate; hydrochloride

Systemtic Name: methanesulfonate; (2-methoxyphenyl) 6-[bis(azanyl)methylideneamino]-4-carbamimidoyl-hexanoate; hydrochloride Openeye Name: methanesulfonate; (2-methoxyphenyl) 4-carbamimidoyl-6-guanidino-hexanoate; hydrochloride CAS Name: 4-carbamimidoyl-6-(diaminomethylideneamino)hexanoic acid (2-methoxyphenyl) ester; methanesulfonate; hydrochloride IUPAC Name: methanesulfonate; (2-methoxyphenyl) 4-carbamimidoyl-6-(diaminomethylideneamino)hexanoate; hydrochloride Traditional Name: 4-amidino-6-guanidino-hexanoic acid (2-methoxyphenyl) ester mesylate hydrochloride Formula: C16H27ClN5O6S- MolecularWeight: 452.93348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OC(=O)CCC(CCN=C(N)N)C(=N)N.CS(=O)(=O)[O-].Cl

Isomeric SMILES

COC1=CC=CC=C1OC(=O)CCC(CCN=C(N)N)C(=N)N.CS(=O)(=O)[O-].Cl

InChI

InChI=1S/C15H23N5O3.CH4O3S.ClH/c1-22-11-4-2-3-5-12(11)23-13(21)7-6-10(14(16)17)8-9-20-15(18)19;1-5(2,3)4;/h2-5,10H,6-9H2,1H3,(H3,16,17)(H4,18,19,20);1H3,(H,2,3,4);1H/p-1