2-[2-[(1S)-2-azaniumyl-1-(diethylazaniumyl)ethyl]-5-methoxy-phenoxy]ethyl-dimethyl-azanium

Systemtic Name: 2-[2-[(1S)-2-azaniumyl-1-(diethylazaniumyl)ethyl]-5-methoxy-phenoxy]ethyl-dimethyl-azanium Openeye Name: 2-[2-[(1S)-2-azaniumyl-1-(diethylammonio)ethyl]-5-methoxy-phenoxy]ethyl-dimethyl-ammonium CAS Name: 2-[2-[(1S)-2-ammonio-1-(diethylammonio)ethyl]-5-methoxyphenoxy]ethyl-dimethylammonium IUPAC Name: 2-[2-[(1S)-2-azaniumyl-1-(diethylazaniumyl)ethyl]-5-methoxyphenoxy]ethyl-dimethylazanium Traditional Name: 2-[2-[(1S)-2-ammonio-1-(diethylammonio)ethyl]-5-methoxy-phenoxy]ethyl-dimethyl-ammonium Formula: C17H34N3O2+3 MolecularWeight: 312.47076

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(C[NH3+])C1=C(C=C(C=C1)OC)OCC[NH+](C)C

Isomeric SMILES

CC[NH+](CC)[C@H](C[NH3+])C1=C(C=C(C=C1)OC)OCC[NH+](C)C

InChI

InChI=1S/C17H31N3O2/c1-6-20(7-2)16(13-18)15-9-8-14(21-5)12-17(15)22-11-10-19(3)4/h8-9,12,16H,6-7,10-11,13,18H2,1-5H3/p+3/t16-/m1/s1