2-[(2S)-1-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-1-ium-2-yl]-1,3-thiazole

Systemtic Name: 2-[(2S)-1-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-1-ium-2-yl]-1,3-thiazole Openeye Name: 2-[(2S)-1-[[5-(6-methoxy-2-naphthyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-1-ium-2-yl]thiazole CAS Name: 2-[(2S)-1-[[5-(6-methoxy-2-naphthalenyl)-1H-pyrazol-4-yl]methyl]-2-pyrrolidin-1-iumyl]thiazole IUPAC Name: 2-[(2S)-1-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-1-ium-2-yl]-1,3-thiazole Traditional Name: 2-[(2S)-1-[[5-(6-methoxy-2-naphthyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-1-ium-2-yl]thiazole Formula: C22H23N4OS+ MolecularWeight: 391.50922

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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+]4CCCC4C5=NC=CS5

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C=C2)C3=C(C=NN3)C[NH+]4CCC[C@H]4C5=NC=CS5

InChI

InChI=1S/C22H22N4OS/c1-27-19-7-6-15-11-17(5-4-16(15)12-19)21-18(13-24-25-21)14-26-9-2-3-20(26)22-23-8-10-28-22/h4-8,10-13,20H,2-3,9,14H2,1H3,(H,24,25)/p+1/t20-/m0/s1