1,3-dicyclohexyl-2-(6-naphthalen-2-yloxyhexyl)guanidine; 4-methylbenzenesulfonic acid

Systemtic Name: 1,3-dicyclohexyl-2-(6-naphthalen-2-yloxyhexyl)guanidine; 4-methylbenzenesulfonic acid Openeye Name: 1,3-dicyclohexyl-2-[6-(2-naphthyloxy)hexyl]guanidine; 4-methylbenzenesulfonic acid CAS Name: 1,3-dicyclohexyl-2-[6-(2-naphthalenyloxy)hexyl]guanidine; 4-methylbenzenesulfonic acid IUPAC Name: 1,3-dicyclohexyl-2-(6-naphthalen-2-yloxyhexyl)guanidine; 4-methylbenzenesulfonic acid Traditional Name: 1,3-dicyclohexyl-2-[6-(2-naphthoxy)hexyl]guanidine; tosylic acid Formula: C36H51N3O4S MolecularWeight: 621.87284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1CCC(CC1)NC(=NCCCCCCOC2=CC3=CC=CC=C3C=C2)NC4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1CCC(CC1)NC(=NCCCCCCOC2=CC3=CC=CC=C3C=C2)NC4CCCCC4

InChI

InChI=1S/C29H43N3O.C7H8O3S/c1(2-12-22-33-28-20-19-24-13-9-10-14-25(24)23-28)11-21-30-29(31-26-15-5-3-6-16-26)32-27-17-7-4-8-18-27;1-6-2-4-7(5-3-6)11(8,9)10/h9-10,13-14,19-20,23,26-27H,1-8,11-12,15-18,21-22H2,(H2,30,31,32);2-5H,1H3,(H,8,9,10)