2-[4-[(1S)-2-azaniumyl-1-(diethylazaniumyl)ethyl]-2-methoxy-phenoxy]ethyl-dimethyl-azanium

Systemtic Name: 2-[4-[(1S)-2-azaniumyl-1-(diethylazaniumyl)ethyl]-2-methoxy-phenoxy]ethyl-dimethyl-azanium Openeye Name: 2-[4-[(1S)-2-azaniumyl-1-(diethylammonio)ethyl]-2-methoxy-phenoxy]ethyl-dimethyl-ammonium CAS Name: 2-[4-[(1S)-2-ammonio-1-(diethylammonio)ethyl]-2-methoxyphenoxy]ethyl-dimethylammonium IUPAC Name: 2-[4-[(1S)-2-azaniumyl-1-(diethylazaniumyl)ethyl]-2-methoxyphenoxy]ethyl-dimethylazanium Traditional Name: 2-[4-[(1S)-2-ammonio-1-(diethylammonio)ethyl]-2-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=CC(=C(C=C1)OCC[NH+](C)C)OC

Isomeric SMILES

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

InChI

InChI=1S/C17H31N3O2/c1-6-20(7-2)15(13-18)14-8-9-16(17(12-14)21-5)22-11-10-19(3)4/h8-9,12,15H,6-7,10-11,13,18H2,1-5H3/p+3/t15-/m1/s1