1-chloranyl-N,N'-dicyclohexyl-1-[6-(cyclohexylamino)pyridin-1-ium-3-yl]methanediamine

Systemtic Name: 1-chloranyl-N,N'-dicyclohexyl-1-[6-(cyclohexylamino)pyridin-1-ium-3-yl]methanediamine Openeye Name: 1-chloro-N,N'-dicyclohexyl-1-[6-(cyclohexylamino)pyridin-1-ium-3-yl]methanediamine CAS Name: 1-chloro-N,N'-dicyclohexyl-1-[6-(cyclohexylamino)-3-pyridin-1-iumyl]methanediamine IUPAC Name: 1-chloro-N,N'-dicyclohexyl-1-[6-(cyclohexylamino)pyridin-1-ium-3-yl]methanediamine Traditional Name: [5-[chloro-bis(cyclohexylamino)methyl]pyridin-1-ium-2-yl]-cyclohexyl-amine Formula: C24H40ClN4+ MolecularWeight: 420.0542

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=[NH+]C=C(C=C2)C(NC3CCCCC3)(NC4CCCCC4)Cl

Isomeric SMILES

C1CCC(CC1)NC2=[NH+]C=C(C=C2)C(NC3CCCCC3)(NC4CCCCC4)Cl

InChI

InChI=1S/C24H39ClN4/c25-24(28-21-12-6-2-7-13-21,29-22-14-8-3-9-15-22)19-16-17-23(26-18-19)27-20-10-4-1-5-11-20/h16-18,20-22,28-29H,1-15H2,(H,26,27)/p+1