2-[2-[(1R)-2-azaniumyl-1-pyrrolidin-1-ium-1-yl-ethyl]-4-chloranyl-phenoxy]ethyl-dimethyl-azanium

Systemtic Name: 2-[2-[(1R)-2-azaniumyl-1-pyrrolidin-1-ium-1-yl-ethyl]-4-chloranyl-phenoxy]ethyl-dimethyl-azanium Openeye Name: 2-[2-[(1R)-2-azaniumyl-1-pyrrolidin-1-ium-1-yl-ethyl]-4-chloro-phenoxy]ethyl-dimethyl-ammonium CAS Name: 2-[2-[(1R)-2-ammonio-1-(1-pyrrolidin-1-iumyl)ethyl]-4-chlorophenoxy]ethyl-dimethylammonium IUPAC Name: 2-[2-[(1R)-2-azaniumyl-1-pyrrolidin-1-ium-1-ylethyl]-4-chlorophenoxy]ethyl-dimethylazanium Traditional Name: 2-[2-[(1R)-2-ammonio-1-pyrrolidin-1-ium-1-yl-ethyl]-4-chloro-phenoxy]ethyl-dimethyl-ammonium Formula: C16H29ClN3O+3 MolecularWeight: 314.87396

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCOC1=C(C=C(C=C1)Cl)C(C[NH3+])[NH+]2CCCC2

Isomeric SMILES

C[NH+](C)CCOC1=C(C=C(C=C1)Cl)[C@H](C[NH3+])[NH+]2CCCC2

InChI

InChI=1S/C16H26ClN3O/c1-19(2)9-10-21-16-6-5-13(17)11-14(16)15(12-18)20-7-3-4-8-20/h5-6,11,15H,3-4,7-10,12,18H2,1-2H3/p+3/t15-/m0/s1