ethyl 4-[(5-naphthalen-1-yl-1H-pyrazol-4-yl)methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(5-naphthalen-1-yl-1H-pyrazol-4-yl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[[5-(1-naphthyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[[5-(1-naphthalenyl)-1H-pyrazol-4-yl]methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(5-naphthalen-1-yl-1H-pyrazol-4-yl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[[5-(1-naphthyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C21H25N4O2+ MolecularWeight: 365.4488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=C(NN=C2)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=C(NN=C2)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C21H24N4O2/c1-2-27-21(26)25-12-10-24(11-13-25)15-17-14-22-23-20(17)19-9-5-7-16-6-3-4-8-18(16)19/h3-9,14H,2,10-13,15H2,1H3,(H,22,23)/p+1