4-[4-(5-azanyl-3-hexyl-1,2,3-oxadiazol-3-ium-4-yl)phenyl]-3-hexyl-1,2,3-oxadiazol-3-ium-5-amine dichloride

Systemtic Name: 4-[4-(5-azanyl-3-hexyl-1,2,3-oxadiazol-3-ium-4-yl)phenyl]-3-hexyl-1,2,3-oxadiazol-3-ium-5-amine dichloride Openeye Name: 4-[4-(5-amino-3-hexyl-oxadiazol-3-ium-4-yl)phenyl]-3-hexyl-oxadiazol-3-ium-5-amine dichloride CAS Name: 4-[4-(5-amino-3-hexyl-4-oxadiazol-3-iumyl)phenyl]-3-hexyl-5-oxadiazol-3-iumamine dichloride IUPAC Name: 4-[4-(5-amino-3-hexyloxadiazol-3-ium-4-yl)phenyl]-3-hexyloxadiazol-3-ium-5-amine dichloride Traditional Name: [4-[4-(5-amino-3-hexyl-oxadiazol-3-ium-4-yl)phenyl]-3-hexyl-oxadiazol-3-ium-5-yl]amine dichloride Formula: C22H34Cl2N6O2 MolecularWeight: 485.45036

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+]1=NOC(=C1C2=CC=C(C=C2)C3=C(ON=[N+]3CCCCCC)N)N.[Cl-].[Cl-]

Isomeric SMILES

CCCCCC[N+]1=NOC(=C1C2=CC=C(C=C2)C3=C(ON=[N+]3CCCCCC)N)N.[Cl-].[Cl-]

InChI

InChI=1S/C22H33N6O2.2ClH/c1-3-5-7-9-15-27-19(21(23)29-25-27)17-11-13-18(14-12-17)20-22(24)30-26-28(20)16-10-8-6-4-2;;/h11-14,23-25H,3-10,15-16H2,1-2H3;2*1H/q+1;;/p-1