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

Systemtic Name: 4-[3-(5-azanyl-3-pentyl-1,2,3-oxadiazol-3-ium-4-yl)phenyl]-3-pentyl-1,2,3-oxadiazol-3-ium-5-amine dichloride Openeye Name: 4-[3-(5-amino-3-pentyl-oxadiazol-3-ium-4-yl)phenyl]-3-pentyl-oxadiazol-3-ium-5-amine dichloride CAS Name: 4-[3-(5-amino-3-pentyl-4-oxadiazol-3-iumyl)phenyl]-3-pentyl-5-oxadiazol-3-iumamine dichloride IUPAC Name: 4-[3-(5-amino-3-pentyloxadiazol-3-ium-4-yl)phenyl]-3-pentyloxadiazol-3-ium-5-amine dichloride Traditional Name: [4-[3-(5-amino-3-amyl-oxadiazol-3-ium-4-yl)phenyl]-3-amyl-oxadiazol-3-ium-5-yl]amine dichloride Formula: C20H30Cl2N6O2 MolecularWeight: 457.3972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N6O2.2ClH/c1-3-5-7-12-25-17(19(21)27-23-25)15-10-9-11-16(14-15)18-20(22)28-24-26(18)13-8-6-4-2;;/h9-11,14H,3-8,12-13,21-22H2,1-2H3;2*1H/q+2;;/p-2