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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N2O2/c1-5-8-14-11-15(12-17(22-4)18(14)21)16(13-19)20(9-6-2)10-7-3/h5,11-12,16,21H,1,6-10,13,19H2,2-4H3/p+2/t16-/m1/s1