(2S)-1-[(3-methoxy-2-oxidanyl-5-prop-2-enyl-phenyl)methyl]piperidin-1-ium-2-carboxamide

Systemtic Name: (2S)-1-[(3-methoxy-2-oxidanyl-5-prop-2-enyl-phenyl)methyl]piperidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[(5-allyl-2-hydroxy-3-methoxy-phenyl)methyl]piperidin-1-ium-2-carboxamide CAS Name: (2S)-1-[(2-hydroxy-3-methoxy-5-prop-2-enylphenyl)methyl]-2-piperidin-1-iumcarboxamide IUPAC Name: (2S)-1-[(2-hydroxy-3-methoxy-5-prop-2-enylphenyl)methyl]piperidin-1-ium-2-carboxamide Traditional Name: (2S)-1-(5-allyl-2-hydroxy-3-methoxy-benzyl)piperidin-1-ium-2-carboxamide Formula: C17H25N2O3+ MolecularWeight: 305.392

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)C[NH+]2CCCCC2C(=O)N)CC=C

Isomeric SMILES

COC1=CC(=CC(=C1O)C[NH+]2CCCC[C@H]2C(=O)N)CC=C

InChI

InChI=1S/C17H24N2O3/c1-3-6-12-9-13(16(20)15(10-12)22-2)11-19-8-5-4-7-14(19)17(18)21/h3,9-10,14,20H,1,4-8,11H2,2H3,(H2,18,21)/p+1/t14-/m0/s1