carbamimidoyl-[6-[6-(carbamimidoylazaniumyl)hexylamino]hexyl]azanium; 2,3,4-tridodecylbenzenesulfonate

Systemtic Name: carbamimidoyl-[6-[6-(carbamimidoylazaniumyl)hexylamino]hexyl]azanium; 2,3,4-tridodecylbenzenesulfonate Openeye Name: carbamimidoyl-[6-[6-(carbamimidoylammonio)hexylamino]hexyl]ammonium; 2,3,4-tridodecylbenzenesulfonate CAS Name: carbamimidoyl-[6-[6-(carbamimidoylammonio)hexylamino]hexyl]ammonium; 2,3,4-tridodecylbenzenesulfonate IUPAC Name: carbamimidoyl-[6-[6-(carbamimidoylazaniumyl)hexylamino]hexyl]azanium; 2,3,4-tridodecylbenzenesulfonate Traditional Name: amidino-[6-[6-(amidinoammonio)hexylamino]hexyl]ammonium; 2,3,4-trilaurylbesylate Formula: C98H189N7O6S2 MolecularWeight: 1625.72256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=C(C(=C(C=C1)S(=O)(=O)[O-])CCCCCCCCCCCC)CCCCCCCCCCCC.CCCCCCCCCCCCC1=C(C(=C(C=C1)S(=O)(=O)[O-])CCCCCCCCCCCC)CCCCCCCCCCCC.C(CCCNCCCCCC[NH2+]C(=N)N)CC[NH2+]C(=N)N

Isomeric SMILES

CCCCCCCCCCCCC1=C(C(=C(C=C1)S(=O)(=O)[O-])CCCCCCCCCCCC)CCCCCCCCCCCC.CCCCCCCCCCCCC1=C(C(=C(C=C1)S(=O)(=O)[O-])CCCCCCCCCCCC)CCCCCCCCCCCC.C(CCCNCCCCCC[NH2+]C(=N)N)CC[NH2+]C(=N)N

InChI

InChI=1S/2C42H78O3S.C14H33N7/c2*1-4-7-10-13-16-19-22-25-28-31-34-39-37-38-42(46(43,44)45)41(36-33-30-27-24-21-18-15-12-9-6-3)40(39)35-32-29-26-23-20-17-14-11-8-5-2;15-13(16)20-11-7-3-1-5-9-19-10-6-2-4-8-12-21-14(17)18/h2*37-38H,4-36H2,1-3H3,(H,43,44,45);19H,1-12H2,(H4,15,16,20)(H4,17,18,21)