methyl 2-[[4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazin-4-ium-1-yl]carbonylamino]benzoate

Systemtic Name: methyl 2-[[4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazin-4-ium-1-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazin-4-ium-1-carbonyl]amino]benzoate CAS Name: 2-[[[4-[(1-ethyl-5-methyl-4-pyrazolyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-4-ium-1-carbonyl]amino]benzoate Traditional Name: 2-[[4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazin-4-ium-1-carbonyl]amino]benzoic acid methyl ester Formula: C20H28N5O3+ MolecularWeight: 386.46802

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)C[NH+]2CCN(CC2)C(=O)NC3=CC=CC=C3C(=O)OC)C

Isomeric SMILES

CCN1C(=C(C=N1)C[NH+]2CCN(CC2)C(=O)NC3=CC=CC=C3C(=O)OC)C

InChI

InChI=1S/C20H27N5O3/c1-4-25-15(2)16(13-21-25)14-23-9-11-24(12-10-23)20(27)22-18-8-6-5-7-17(18)19(26)28-3/h5-8,13H,4,9-12,14H2,1-3H3,(H,22,27)/p+1