ethyl 4-[6-[bis(azanyl)methylideneamino]hexanoyloxy]benzoate; methanesulfonate

Systemtic Name: ethyl 4-[6-[bis(azanyl)methylideneamino]hexanoyloxy]benzoate; methanesulfonate Openeye Name: ethyl 4-(6-guanidinohexanoyloxy)benzoate; methanesulfonate CAS Name: 4-[6-(diaminomethylideneamino)-1-oxohexoxy]benzoic acid ethyl ester; methanesulfonate IUPAC Name: ethyl 4-[6-(diaminomethylideneamino)hexanoyloxy]benzoate; methanesulfonate Traditional Name: 4-(6-guanidinohexanoyloxy)benzoic acid ethyl ester mesylate Formula: C17H26N3O7S- MolecularWeight: 416.46924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OC(=O)CCCCCN=C(N)N.CS(=O)(=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC(=O)CCCCCN=C(N)N.CS(=O)(=O)[O-]

InChI

InChI=1S/C16H23N3O4.CH4O3S/c1-2-22-15(21)12-7-9-13(10-8-12)23-14(20)6-4-3-5-11-19-16(17)18;1-5(2,3)4/h7-10H,2-6,11H2,1H3,(H4,17,18,19);1H3,(H,2,3,4)/p-1