3-[3-[(1R)-2-azaniumyl-1-(azepan-1-ium-1-yl)ethyl]phenoxy]propyl-dimethyl-azanium

Systemtic Name: 3-[3-[(1R)-2-azaniumyl-1-(azepan-1-ium-1-yl)ethyl]phenoxy]propyl-dimethyl-azanium Openeye Name: 3-[3-[(1R)-2-azaniumyl-1-(azepan-1-ium-1-yl)ethyl]phenoxy]propyl-dimethyl-ammonium CAS Name: 3-[3-[(1R)-2-ammonio-1-(1-azepan-1-iumyl)ethyl]phenoxy]propyl-dimethylammonium IUPAC Name: 3-[3-[(1R)-2-azaniumyl-1-(azepan-1-ium-1-yl)ethyl]phenoxy]propyl-dimethylazanium Traditional Name: 3-[3-[(1R)-2-ammonio-1-(azepan-1-ium-1-yl)ethyl]phenoxy]propyl-dimethyl-ammonium Formula: C19H36N3O+3 MolecularWeight: 322.50864

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCOC1=CC=CC(=C1)C(C[NH3+])[NH+]2CCCCCC2

Isomeric SMILES

C[NH+](C)CCCOC1=CC=CC(=C1)[C@H](C[NH3+])[NH+]2CCCCCC2

InChI

InChI=1S/C19H33N3O/c1-21(2)11-8-14-23-18-10-7-9-17(15-18)19(16-20)22-12-5-3-4-6-13-22/h7,9-10,15,19H,3-6,8,11-14,16,20H2,1-2H3/p+3/t19-/m0/s1