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

Systemtic Name: [(1S)-2-azaniumyl-1-(3-methoxy-4-oxidanyl-5-prop-2-enyl-phenyl)ethyl]-tert-butyl-ethyl-azanium Openeye Name: [(1S)-1-(3-allyl-4-hydroxy-5-methoxy-phenyl)-2-azaniumyl-ethyl]-tert-butyl-ethyl-ammonium CAS Name: [(1S)-2-ammonio-1-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)ethyl]-tert-butyl-ethylammonium IUPAC Name: [(1S)-2-azaniumyl-1-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)ethyl]-tert-butyl-ethylazanium Traditional Name: [(1S)-1-(3-allyl-4-hydroxy-5-methoxy-phenyl)-2-ammonio-ethyl]-tert-butyl-ethyl-ammonium Formula: C18H32N2O2+2 MolecularWeight: 308.45888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N2O2/c1-7-9-13-10-14(11-16(22-6)17(13)21)15(12-19)20(8-2)18(3,4)5/h7,10-11,15,21H,1,8-9,12,19H2,2-6H3/p+2/t15-/m1/s1