(3S)-1-[(6-oxidanyl-1,3-benzodioxol-5-yl)methyl]-N-phenyl-piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[(6-oxidanyl-1,3-benzodioxol-5-yl)methyl]-N-phenyl-piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]-N-phenyl-piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]-N-phenyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]-N-phenylpiperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]-N-phenyl-piperidin-1-ium-3-carboxamide Formula: C20H23N2O4+ MolecularWeight: 355.40762

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC3=C(C=C2O)OCO3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC3=C(C=C2O)OCO3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C20H22N2O4/c23-17-10-19-18(25-13-26-19)9-15(17)12-22-8-4-5-14(11-22)20(24)21-16-6-2-1-3-7-16/h1-3,6-7,9-10,14,23H,4-5,8,11-13H2,(H,21,24)/p+1/t14-/m0/s1