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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[(4,5-dimethyl-2-oxidanyl-phenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[(2-hydroxy-4,5-dimethyl-phenyl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[(2-hydroxy-4,5-dimethylphenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[(2-hydroxy-4,5-dimethylphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-(2-hydroxy-4,5-dimethyl-benzyl)piperidin-1-ium-4-carboxamide Formula: C22H27N2O4+ MolecularWeight: 383.46078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)O)C[NH+]2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=C(C=C1C)O)C[NH+]2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H26N2O4/c1-14-9-17(19(25)10-15(14)2)12-24-7-5-16(6-8-24)22(26)23-18-3-4-20-21(11-18)28-13-27-20/h3-4,9-11,16,25H,5-8,12-13H2,1-2H3,(H,23,26)/p+1