3-[2-[(1R)-2-azaniumyl-1-pyrrolidin-1-ium-1-yl-ethyl]-4-chloranyl-phenoxy]propyl-dimethyl-azanium

Systemtic Name: 3-[2-[(1R)-2-azaniumyl-1-pyrrolidin-1-ium-1-yl-ethyl]-4-chloranyl-phenoxy]propyl-dimethyl-azanium Openeye Name: 3-[2-[(1R)-2-azaniumyl-1-pyrrolidin-1-ium-1-yl-ethyl]-4-chloro-phenoxy]propyl-dimethyl-ammonium CAS Name: 3-[2-[(1R)-2-ammonio-1-(1-pyrrolidin-1-iumyl)ethyl]-4-chlorophenoxy]propyl-dimethylammonium IUPAC Name: 3-[2-[(1R)-2-azaniumyl-1-pyrrolidin-1-ium-1-ylethyl]-4-chlorophenoxy]propyl-dimethylazanium Traditional Name: 3-[2-[(1R)-2-ammonio-1-pyrrolidin-1-ium-1-yl-ethyl]-4-chloro-phenoxy]propyl-dimethyl-ammonium Formula: C17H31ClN3O+3 MolecularWeight: 328.90054

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCOC1=C(C=C(C=C1)Cl)C(C[NH3+])[NH+]2CCCC2

Isomeric SMILES

C[NH+](C)CCCOC1=C(C=C(C=C1)Cl)[C@H](C[NH3+])[NH+]2CCCC2

InChI

InChI=1S/C17H28ClN3O/c1-20(2)8-5-11-22-17-7-6-14(18)12-15(17)16(13-19)21-9-3-4-10-21/h6-7,12,16H,3-5,8-11,13,19H2,1-2H3/p+3/t16-/m0/s1