N-[[(3R)-1-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]methyl]ethanamide

Systemtic Name: N-[[(3R)-1-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]methyl]ethanamide Openeye Name: N-[[(3R)-1-[[5-(6-methoxy-2-naphthyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]methyl]acetamide CAS Name: N-[[(3R)-1-[[5-(6-methoxy-2-naphthalenyl)-1H-pyrazol-4-yl]methyl]-3-piperidin-1-iumyl]methyl]acetamide IUPAC Name: N-[[(3R)-1-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]methyl]acetamide Traditional Name: N-[[(3R)-1-[[5-(6-methoxy-2-naphthyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]methyl]acetamide Formula: C23H29N4O2+ MolecularWeight: 393.50196

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1CCC[NH+](C1)CC2=C(NN=C2)C3=CC4=C(C=C3)C=C(C=C4)OC

Isomeric SMILES

CC(=O)NC[C@H]1CCC[NH+](C1)CC2=C(NN=C2)C3=CC4=C(C=C3)C=C(C=C4)OC

InChI

InChI=1S/C23H28N4O2/c1-16(28)24-12-17-4-3-9-27(14-17)15-21-13-25-26-23(21)20-6-5-19-11-22(29-2)8-7-18(19)10-20/h5-8,10-11,13,17H,3-4,9,12,14-15H2,1-2H3,(H,24,28)(H,25,26)/p+1/t17-/m1/s1