(6-carbamimidoylnaphthalen-2-yl) 6-[bis(azanyl)methylideneamino]hexanoate; methanesulfonic acid

Systemtic Name: (6-carbamimidoylnaphthalen-2-yl) 6-[bis(azanyl)methylideneamino]hexanoate; methanesulfonic acid Openeye Name: (6-carbamimidoyl-2-naphthyl) 6-guanidinohexanoate; methanesulfonic acid CAS Name: 6-(diaminomethylideneamino)hexanoic acid (6-carbamimidoyl-2-naphthalenyl) ester; methanesulfonic acid IUPAC Name: (6-carbamimidoylnaphthalen-2-yl) 6-(diaminomethylideneamino)hexanoate; methanesulfonic acid Traditional Name: 6-guanidinohexanoic acid (6-amidino-2-naphthyl) ester; mesylic acid Formula: C20H31N5O8S2 MolecularWeight: 533.61884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.CS(=O)(=O)O.C1=CC2=C(C=CC(=C2)OC(=O)CCCCCN=C(N)N)C=C1C(=N)N

Isomeric SMILES

CS(=O)(=O)O.CS(=O)(=O)O.C1=CC2=C(C=CC(=C2)OC(=O)CCCCCN=C(N)N)C=C1C(=N)N

InChI

InChI=1S/C18H23N5O2.2CH4O3S/c19-17(20)14-6-5-13-11-15(8-7-12(13)10-14)25-16(24)4-2-1-3-9-23-18(21)22;2*1-5(2,3)4/h5-8,10-11H,1-4,9H2,(H3,19,20)(H4,21,22,23);2*1H3,(H,2,3,4)