(3S)-1-[(5-methoxy-2-oxidanyl-phenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[(5-methoxy-2-oxidanyl-phenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(2-hydroxy-5-methoxy-phenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(2-hydroxy-5-methoxyphenyl)methyl]-N-[3-(1-pyrazolyl)phenyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(2-hydroxy-5-methoxyphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-(2-hydroxy-5-methoxy-benzyl)-N-(3-pyrazol-1-ylphenyl)piperidin-1-ium-3-carboxamide Formula: C23H27N4O3+ MolecularWeight: 407.48548

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)O)C[NH+]2CCCC(C2)C(=O)NC3=CC=CC(=C3)N4C=CC=N4

Isomeric SMILES

COC1=CC(=C(C=C1)O)C[NH+]2CCC[C@@H](C2)C(=O)NC3=CC=CC(=C3)N4C=CC=N4

InChI

InChI=1S/C23H26N4O3/c1-30-21-8-9-22(28)18(13-21)16-26-11-3-5-17(15-26)23(29)25-19-6-2-7-20(14-19)27-12-4-10-24-27/h2,4,6-10,12-14,17,28H,3,5,11,15-16H2,1H3,(H,25,29)/p+1/t17-/m0/s1