ethyl 4-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-[(2-cyclopentyl-3-pyrazolyl)amino]-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-keto-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C17H28N5O3+ MolecularWeight: 350.43592

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2=CC=NN2C3CCCC3

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2=CC=NN2C3CCCC3

InChI

InChI=1S/C17H27N5O3/c1-2-25-17(24)21-11-9-20(10-12-21)13-16(23)19-15-7-8-18-22(15)14-5-3-4-6-14/h7-8,14H,2-6,9-13H2,1H3,(H,19,23)/p+1