methyl 2-[(2R)-1-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate

Systemtic Name: methyl 2-[(2R)-1-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate Openeye Name: methyl 2-[(2R)-1-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl]-3-oxo-piperazin-1-ium-2-yl]acetate CAS Name: 2-[(2R)-1-[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl]-3-oxo-2-piperazin-1-iumyl]acetic acid methyl ester IUPAC Name: methyl 2-[(2R)-1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-3-oxopiperazin-1-ium-2-yl]acetate Traditional Name: 2-[(2R)-1-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl]-3-keto-piperazin-1-ium-2-yl]acetic acid methyl ester Formula: C18H22ClN4O3+ MolecularWeight: 377.84528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C[NH+]2CCNC(=O)C2CC(=O)OC)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C[NH+]2CCNC(=O)[C@H]2CC(=O)OC)Cl)C3=CC=CC=C3

InChI

InChI=1S/C18H21ClN4O3/c1-12-14(17(19)23(21-12)13-6-4-3-5-7-13)11-22-9-8-20-18(25)15(22)10-16(24)26-2/h3-7,15H,8-11H2,1-2H3,(H,20,25)/p+1/t15-/m1/s1