3-[5-[(1S)-2-azaniumyl-1-(diethylazaniumyl)ethyl]-2-methoxy-phenoxy]propyl-dimethyl-azanium

Systemtic Name: 3-[5-[(1S)-2-azaniumyl-1-(diethylazaniumyl)ethyl]-2-methoxy-phenoxy]propyl-dimethyl-azanium Openeye Name: 3-[5-[(1S)-2-azaniumyl-1-(diethylammonio)ethyl]-2-methoxy-phenoxy]propyl-dimethyl-ammonium CAS Name: 3-[5-[(1S)-2-ammonio-1-(diethylammonio)ethyl]-2-methoxyphenoxy]propyl-dimethylammonium IUPAC Name: 3-[5-[(1S)-2-azaniumyl-1-(diethylazaniumyl)ethyl]-2-methoxyphenoxy]propyl-dimethylazanium Traditional Name: 3-[5-[(1S)-2-ammonio-1-(diethylammonio)ethyl]-2-methoxy-phenoxy]propyl-dimethyl-ammonium Formula: C18H36N3O2+3 MolecularWeight: 326.49734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H33N3O2/c1-6-21(7-2)16(14-19)15-9-10-17(22-5)18(13-15)23-12-8-11-20(3)4/h9-10,13,16H,6-8,11-12,14,19H2,1-5H3/p+3/t16-/m1/s1