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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[(3-methoxy-2-oxidanyl-5-prop-2-enyl-phenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(5-allyl-2-hydroxy-3-methoxy-phenyl)methyl]-N-(1,3-benzodioxol-5-yl)piperidin-1-ium-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[(2-hydroxy-3-methoxy-5-prop-2-enylphenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[(2-hydroxy-3-methoxy-5-prop-2-enylphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(5-allyl-2-hydroxy-3-methoxy-benzyl)-N-(1,3-benzodioxol-5-yl)piperidin-1-ium-4-carboxamide Formula: C24H29N2O5+ MolecularWeight: 425.49746

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)C[NH+]2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4)CC=C

Isomeric SMILES

COC1=CC(=CC(=C1O)C[NH+]2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4)CC=C

InChI

InChI=1S/C24H28N2O5/c1-3-4-16-11-18(23(27)22(12-16)29-2)14-26-9-7-17(8-10-26)24(28)25-19-5-6-20-21(13-19)31-15-30-20/h3,5-6,11-13,17,27H,1,4,7-10,14-15H2,2H3,(H,25,28)/p+1