[(1S)-2-azaniumyl-1-(3-methoxy-4-oxidanyl-5-prop-2-enyl-phenyl)ethyl]-diethyl-azanium

Systemtic Name: [(1S)-2-azaniumyl-1-(3-methoxy-4-oxidanyl-5-prop-2-enyl-phenyl)ethyl]-diethyl-azanium Openeye Name: [(1S)-1-(3-allyl-4-hydroxy-5-methoxy-phenyl)-2-azaniumyl-ethyl]-diethyl-ammonium CAS Name: [(1S)-2-ammonio-1-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)ethyl]-diethylammonium IUPAC Name: [(1S)-2-azaniumyl-1-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)ethyl]-diethylazanium Traditional Name: [(1S)-1-(3-allyl-4-hydroxy-5-methoxy-phenyl)-2-ammonio-ethyl]-diethyl-ammonium Formula: C16H28N2O2+2 MolecularWeight: 280.40572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O2/c1-5-8-12-9-13(10-15(20-4)16(12)19)14(11-17)18(6-2)7-3/h5,9-10,14,19H,1,6-8,11,17H2,2-4H3/p+2/t14-/m1/s1