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

Systemtic Name: 2-[(2S)-1-cyclopentyl-4-[(3,5-dimethyl-1-propan-2-yl-pyrazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-cyclopentyl-4-[(1-isopropyl-3,5-dimethyl-pyrazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-cyclopentyl-4-[(3,5-dimethyl-1-propan-2-yl-4-pyrazolyl)methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-cyclopentyl-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-cyclopentyl-4-[(1-isopropyl-3,5-dimethyl-pyrazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol Formula: C20H37N4O+ MolecularWeight: 349.53398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(C)C)C)CN2CC[NH+](C(C2)CCO)C3CCCC3

Isomeric SMILES

CC1=C(C(=NN1C(C)C)C)CN2CC[NH+]([C@H](C2)CCO)C3CCCC3

InChI

InChI=1S/C20H36N4O/c1-15(2)24-17(4)20(16(3)21-24)14-22-10-11-23(18-7-5-6-8-18)19(13-22)9-12-25/h15,18-19,25H,5-14H2,1-4H3/p+1/t19-/m0/s1