[(1S)-2-azaniumyl-1-(3-methoxy-4-propan-2-yloxy-phenyl)ethyl]-diethyl-azanium

Systemtic Name: [(1S)-2-azaniumyl-1-(3-methoxy-4-propan-2-yloxy-phenyl)ethyl]-diethyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-(4-isopropoxy-3-methoxy-phenyl)ethyl]-diethyl-ammonium CAS Name: [(1S)-2-ammonio-1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-diethylammonium IUPAC Name: [(1S)-2-azaniumyl-1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-diethylazanium Traditional Name: [(1S)-2-ammonio-1-(4-isopropoxy-3-methoxy-phenyl)ethyl]-diethyl-ammonium Formula: C16H30N2O2+2 MolecularWeight: 282.4216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H28N2O2/c1-6-18(7-2)14(11-17)13-8-9-15(20-12(3)4)16(10-13)19-5/h8-10,12,14H,6-7,11,17H2,1-5H3/p+2/t14-/m1/s1