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

Systemtic Name: [(2R)-2-(azepan-1-ium-1-yl)-2-(3-methoxy-4-oxidanyl-5-prop-2-enyl-phenyl)ethyl]azanium Openeye Name: [(2R)-2-(3-allyl-4-hydroxy-5-methoxy-phenyl)-2-(azepan-1-ium-1-yl)ethyl]ammonium CAS Name: [(2R)-2-(1-azepan-1-iumyl)-2-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)ethyl]ammonium IUPAC Name: [(2R)-2-(azepan-1-ium-1-yl)-2-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)ethyl]azanium Traditional Name: [(2R)-2-(3-allyl-4-hydroxy-5-methoxy-phenyl)-2-(azepan-1-ium-1-yl)ethyl]ammonium Formula: C18H30N2O2+2 MolecularWeight: 306.443

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)CC=C)C(C[NH3+])[NH+]2CCCCCC2

Isomeric SMILES

COC1=CC(=CC(=C1O)CC=C)[C@H](C[NH3+])[NH+]2CCCCCC2

InChI

InChI=1S/C18H28N2O2/c1-3-8-14-11-15(12-17(22-2)18(14)21)16(13-19)20-9-6-4-5-7-10-20/h3,11-12,16,21H,1,4-10,13,19H2,2H3/p+2/t16-/m0/s1