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

Systemtic Name: 3-[2-[(1R)-2-azaniumyl-1-(azepan-1-ium-1-yl)ethyl]phenoxy]propyl-dimethyl-azanium Openeye Name: 3-[2-[(1R)-2-azaniumyl-1-(azepan-1-ium-1-yl)ethyl]phenoxy]propyl-dimethyl-ammonium CAS Name: 3-[2-[(1R)-2-ammonio-1-(1-azepan-1-iumyl)ethyl]phenoxy]propyl-dimethylammonium IUPAC Name: 3-[2-[(1R)-2-azaniumyl-1-(azepan-1-ium-1-yl)ethyl]phenoxy]propyl-dimethylazanium Traditional Name: 3-[2-[(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=C1C(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)12-9-15-23-19-11-6-5-10-17(19)18(16-20)22-13-7-3-4-8-14-22/h5-6,10-11,18H,3-4,7-9,12-16,20H2,1-2H3/p+3/t18-/m0/s1