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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N2O2/c1-5-8-10-20(7-3)16(13-19)15-11-14(9-6-2)18(21)17(12-15)22-4/h6,11-12,16,21H,2,5,7-10,13,19H2,1,3-4H3/p+2/t16-/m1/s1