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

Systemtic Name: 2-[2-[(1R)-2-azaniumyl-1-(azepan-1-ium-1-yl)ethyl]phenoxy]ethyl-dimethyl-azanium Openeye Name: 2-[2-[(1R)-2-azaniumyl-1-(azepan-1-ium-1-yl)ethyl]phenoxy]ethyl-dimethyl-ammonium CAS Name: 2-[2-[(1R)-2-ammonio-1-(1-azepan-1-iumyl)ethyl]phenoxy]ethyl-dimethylammonium IUPAC Name: 2-[2-[(1R)-2-azaniumyl-1-(azepan-1-ium-1-yl)ethyl]phenoxy]ethyl-dimethylazanium Traditional Name: 2-[2-[(1R)-2-ammonio-1-(azepan-1-ium-1-yl)ethyl]phenoxy]ethyl-dimethyl-ammonium Formula: C18H34N3O+3 MolecularWeight: 308.48206

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCOC1=CC=CC=C1C(C[NH3+])[NH+]2CCCCCC2

Isomeric SMILES

C[NH+](C)CCOC1=CC=CC=C1[C@H](C[NH3+])[NH+]2CCCCCC2

InChI

InChI=1S/C18H31N3O/c1-20(2)13-14-22-18-10-6-5-9-16(18)17(15-19)21-11-7-3-4-8-12-21/h5-6,9-10,17H,3-4,7-8,11-15,19H2,1-2H3/p+3/t17-/m0/s1