ethyl 4-[(3S)-1-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(3S)-1-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(3S)-1-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylate CAS Name: 4-[(3S)-1-[(5-chloro-1,3-dimethyl-4-pyrazolyl)methyl]-3-piperidin-1-iumyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylate Traditional Name: 4-[(3S)-1-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylic acid ethyl ester Formula: C18H31ClN5O2+ MolecularWeight: 384.92404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2CCC[NH+](C2)CC3=C(N(N=C3C)C)Cl

Isomeric SMILES

CCOC(=O)N1CCN(CC1)[C@H]2CCC[NH+](C2)CC3=C(N(N=C3C)C)Cl

InChI

InChI=1S/C18H30ClN5O2/c1-4-26-18(25)24-10-8-23(9-11-24)15-6-5-7-22(12-15)13-16-14(2)20-21(3)17(16)19/h15H,4-13H2,1-3H3/p+1/t15-/m0/s1