1-[(3-methoxy-2-oxidanyl-5-prop-2-enyl-phenyl)methyl]-N-phenyl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(3-methoxy-2-oxidanyl-5-prop-2-enyl-phenyl)methyl]-N-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[(5-allyl-2-hydroxy-3-methoxy-phenyl)methyl]-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[(2-hydroxy-3-methoxy-5-prop-2-enylphenyl)methyl]-N-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2-hydroxy-3-methoxy-5-prop-2-enylphenyl)methyl]-N-phenylpiperidin-1-ium-4-carboxamide Traditional Name: 1-(5-allyl-2-hydroxy-3-methoxy-benzyl)-N-phenyl-piperidin-1-ium-4-carboxamide Formula: C23H29N2O3+ MolecularWeight: 381.48796

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3)CC=C

Isomeric SMILES

COC1=CC(=CC(=C1O)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3)CC=C

InChI

InChI=1S/C23H28N2O3/c1-3-7-17-14-19(22(26)21(15-17)28-2)16-25-12-10-18(11-13-25)23(27)24-20-8-5-4-6-9-20/h3-6,8-9,14-15,18,26H,1,7,10-13,16H2,2H3,(H,24,27)/p+1