2-[(2S)-4-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-1-cyclohexyl-piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-1-cyclohexyl-piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-1-cyclohexyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(5-chloro-1,3-dimethyl-4-pyrazolyl)methyl]-1-cyclohexyl-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-cyclohexylpiperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-1-cyclohexyl-piperazin-1-ium-2-yl]ethanol Formula: C18H32ClN4O+ MolecularWeight: 355.92588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CN2CC[NH+](C(C2)CCO)C3CCCCC3)Cl)C

Isomeric SMILES

CC1=NN(C(=C1CN2CC[NH+]([C@H](C2)CCO)C3CCCCC3)Cl)C

InChI

InChI=1S/C18H31ClN4O/c1-14-17(18(19)21(2)20-14)13-22-9-10-23(16(12-22)8-11-24)15-6-4-3-5-7-15/h15-16,24H,3-13H2,1-2H3/p+1/t16-/m0/s1