6-[bis(azanyl)methylideneamino]hexyl-carbamimidoyl-azanium; 2,3,4-tridodecylbenzenesulfonate

Systemtic Name: 6-[bis(azanyl)methylideneamino]hexyl-carbamimidoyl-azanium; 2,3,4-tridodecylbenzenesulfonate Openeye Name: carbamimidoyl(6-guanidinohexyl)ammonium; 2,3,4-tridodecylbenzenesulfonate CAS Name: carbamimidoyl-[6-(diaminomethylideneamino)hexyl]ammonium; 2,3,4-tridodecylbenzenesulfonate IUPAC Name: carbamimidoyl-[6-(diaminomethylideneamino)hexyl]azanium; 2,3,4-tridodecylbenzenesulfonate Traditional Name: amidino(6-guanidinohexyl)ammonium; 2,3,4-trilaurylbesylate Formula: C50H98N6O3S MolecularWeight: 863.41652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C42H78O3S.C8H20N6/c1-4-7-10-13-16-19-22-25-28-31-34-39-37-38-42(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;9-7(10)13-5-3-1-2-4-6-14-8(11)12/h37-38H,4-36H2,1-3H3,(H,43,44,45);1-6H2,(H4,9,10,13)(H4,11,12,14)