[(2R)-2-(3-methoxy-4-oxidanyl-5-prop-2-enyl-phenyl)-2-piperidin-1-ium-1-yl-ethyl]azanium

Systemtic Name: [(2R)-2-(3-methoxy-4-oxidanyl-5-prop-2-enyl-phenyl)-2-piperidin-1-ium-1-yl-ethyl]azanium Openeye Name: [(2R)-2-(3-allyl-4-hydroxy-5-methoxy-phenyl)-2-piperidin-1-ium-1-yl-ethyl]ammonium CAS Name: [(2R)-2-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)-2-(1-piperidin-1-iumyl)ethyl]ammonium IUPAC Name: [(2R)-2-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)-2-piperidin-1-ium-1-ylethyl]azanium Traditional Name: [(2R)-2-(3-allyl-4-hydroxy-5-methoxy-phenyl)-2-piperidin-1-ium-1-yl-ethyl]ammonium Formula: C17H28N2O2+2 MolecularWeight: 292.41642

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)CC=C)C(C[NH3+])[NH+]2CCCCC2

Isomeric SMILES

COC1=CC(=CC(=C1O)CC=C)[C@H](C[NH3+])[NH+]2CCCCC2

InChI

InChI=1S/C17H26N2O2/c1-3-7-13-10-14(11-16(21-2)17(13)20)15(12-18)19-8-5-4-6-9-19/h3,10-11,15,20H,1,4-9,12,18H2,2H3/p+2/t15-/m0/s1