ethyl 4-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C18H24ClN4O2+ MolecularWeight: 363.86176

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=C(N(N=C2C)C3=CC=CC=C3)Cl

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=C(N(N=C2C)C3=CC=CC=C3)Cl

InChI

InChI=1S/C18H23ClN4O2/c1-3-25-18(24)22-11-9-21(10-12-22)13-16-14(2)20-23(17(16)19)15-7-5-4-6-8-15/h4-8H,3,9-13H2,1-2H3/p+1