ethyl 4-[(3S)-1-[3-(1-methylpyrazol-4-yl)propanoyl]piperidin-3-yl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(3S)-1-[3-(1-methylpyrazol-4-yl)propanoyl]piperidin-3-yl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(3S)-1-[3-(1-methylpyrazol-4-yl)propanoyl]-3-piperidyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(3S)-1-[3-(1-methyl-4-pyrazolyl)-1-oxopropyl]-3-piperidinyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-1-[3-(1-methylpyrazol-4-yl)propanoyl]piperidin-3-yl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(3S)-1-[3-(1-methylpyrazol-4-yl)propanoyl]-3-piperidyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C19H32N5O3+ MolecularWeight: 378.48908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)C2CCCN(C2)C(=O)CCC3=CN(N=C3)C

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)[C@H]2CCCN(C2)C(=O)CCC3=CN(N=C3)C

InChI

InChI=1S/C19H31N5O3/c1-3-27-19(26)23-11-9-22(10-12-23)17-5-4-8-24(15-17)18(25)7-6-16-13-20-21(2)14-16/h13-14,17H,3-12,15H2,1-2H3/p+1/t17-/m0/s1