(3R)-1-[(2-methoxy-6-oxidanyl-phenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3R)-1-[(2-methoxy-6-oxidanyl-phenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[(2-hydroxy-6-methoxy-phenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[(2-hydroxy-6-methoxyphenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[(2-hydroxy-6-methoxyphenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-(2-hydroxy-6-methoxy-benzyl)-N-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-3-carboxamide Formula: C23H27N4O3+ MolecularWeight: 407.48548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1C[NH+]2CCCC(C2)C(=O)NC3=CC=C(C=C3)C4=CC=NN4)O

Isomeric SMILES

COC1=CC=CC(=C1C[NH+]2CCC[C@H](C2)C(=O)NC3=CC=C(C=C3)C4=CC=NN4)O

InChI

InChI=1S/C23H26N4O3/c1-30-22-6-2-5-21(28)19(22)15-27-13-3-4-17(14-27)23(29)25-18-9-7-16(8-10-18)20-11-12-24-26-20/h2,5-12,17,28H,3-4,13-15H2,1H3,(H,24,26)(H,25,29)/p+1/t17-/m1/s1