4-[1-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]thiomorpholin-4-ium

Systemtic Name: 4-[1-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]thiomorpholin-4-ium Openeye Name: 4-[1-[[5-(6-methoxy-2-naphthyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]thiomorpholin-4-ium CAS Name: 4-[1-[[5-(6-methoxy-2-naphthalenyl)-1H-pyrazol-4-yl]methyl]-4-piperidin-1-iumyl]thiomorpholin-4-ium IUPAC Name: 4-[1-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]thiomorpholin-4-ium Traditional Name: 4-[1-[[5-(6-methoxy-2-naphthyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]thiomorpholin-4-ium Formula: C24H32N4OS+2 MolecularWeight: 424.60208

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(C=C2)C3=C(C=NN3)C[NH+]4CCC(CC4)[NH+]5CCSCC5

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C=C2)C3=C(C=NN3)C[NH+]4CCC(CC4)[NH+]5CCSCC5

InChI

InChI=1S/C24H30N4OS/c1-29-23-5-4-18-14-20(3-2-19(18)15-23)24-21(16-25-26-24)17-27-8-6-22(7-9-27)28-10-12-30-13-11-28/h2-5,14-16,22H,6-13,17H2,1H3,(H,25,26)/p+2