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

Systemtic Name: 2-[(2S)-4-[(3,5-dimethyl-1-propan-2-yl-pyrazol-4-yl)methyl]-1-(phenylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-benzyl-4-[(1-isopropyl-3,5-dimethyl-pyrazol-4-yl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(3,5-dimethyl-1-propan-2-yl-4-pyrazolyl)methyl]-1-(phenylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-benzyl-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-benzyl-4-[(1-isopropyl-3,5-dimethyl-pyrazol-4-yl)methyl]piperazin-4-ium-2-yl]ethanol Formula: C22H35N4O+ MolecularWeight: 371.5395

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(C)C)C)C[NH+]2CCN(C(C2)CCO)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NN1C(C)C)C)C[NH+]2CCN([C@H](C2)CCO)CC3=CC=CC=C3

InChI

InChI=1S/C22H34N4O/c1-17(2)26-19(4)22(18(3)23-26)16-24-11-12-25(21(15-24)10-13-27)14-20-8-6-5-7-9-20/h5-9,17,21,27H,10-16H2,1-4H3/p+1/t21-/m0/s1