2-[(2S)-1-(cyclohexylmethyl)-4-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-(cyclohexylmethyl)-4-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(cyclohexylmethyl)-4-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(cyclohexylmethyl)-4-[(3-methyl-1-propyl-4-pyrazolyl)methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(cyclohexylmethyl)-4-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(cyclohexylmethyl)-4-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol Formula: C21H39N4O+ MolecularWeight: 363.56056

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C(=N1)C)CN2CC[NH+](C(C2)CCO)CC3CCCCC3

Isomeric SMILES

CCCN1C=C(C(=N1)C)CN2CC[NH+]([C@H](C2)CCO)CC3CCCCC3

InChI

InChI=1S/C21H38N4O/c1-3-10-25-16-20(18(2)22-25)15-23-11-12-24(21(17-23)9-13-26)14-19-7-5-4-6-8-19/h16,19,21,26H,3-15,17H2,1-2H3/p+1/t21-/m0/s1