ethyl 4-[(3S)-1-[(5-methyl-1H-pyrazol-3-yl)carbonyl]piperidin-3-yl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(3S)-1-[(5-methyl-1H-pyrazol-3-yl)carbonyl]piperidin-3-yl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(3S)-1-(5-methyl-1H-pyrazole-3-carbonyl)-3-piperidyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(3S)-1-[(5-methyl-1H-pyrazol-3-yl)-oxomethyl]-3-piperidinyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(3S)-1-(5-methyl-1H-pyrazole-3-carbonyl)-3-piperidyl]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)C2CCCN(C2)C(=O)C3=NNC(=C3)C

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)[C@H]2CCCN(C2)C(=O)C3=NNC(=C3)C

InChI

InChI=1S/C17H27N5O3/c1-3-25-17(24)21-9-7-20(8-10-21)14-5-4-6-22(12-14)16(23)15-11-13(2)18-19-15/h11,14H,3-10,12H2,1-2H3,(H,18,19)/p+1/t14-/m0/s1