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

Systemtic Name: methyl (2S)-1-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S)-1-[[5-(6-methoxy-2-naphthyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxylate CAS Name: (2S)-1-[[5-(6-methoxy-2-naphthalenyl)-1H-pyrazol-4-yl]methyl]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S)-1-[[5-(6-methoxy-2-naphthyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C21H24N3O3+ MolecularWeight: 366.43356

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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+]4CCCC4C(=O)OC

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C=C2)C3=C(C=NN3)C[NH+]4CCC[C@H]4C(=O)OC

InChI

InChI=1S/C21H23N3O3/c1-26-18-8-7-14-10-16(6-5-15(14)11-18)20-17(12-22-23-20)13-24-9-3-4-19(24)21(25)27-2/h5-8,10-12,19H,3-4,9,13H2,1-2H3,(H,22,23)/p+1/t19-/m0/s1