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

Systemtic Name: ethyl 4-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[[5-(6-methoxy-2-naphthyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[[5-(6-methoxy-2-naphthalenyl)-1H-pyrazol-4-yl]methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[[5-(6-methoxy-2-naphthyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C22H27N4O3+ MolecularWeight: 395.47478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=C(NN=C2)C3=CC4=C(C=C3)C=C(C=C4)OC

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=C(NN=C2)C3=CC4=C(C=C3)C=C(C=C4)OC

InChI

InChI=1S/C22H26N4O3/c1-3-29-22(27)26-10-8-25(9-11-26)15-19-14-23-24-21(19)18-5-4-17-13-20(28-2)7-6-16(17)12-18/h4-7,12-14H,3,8-11,15H2,1-2H3,(H,23,24)/p+1