2-[(2S)-4-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(phenylmethyl)piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(phenylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-benzyl-4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(1,3-dimethyl-4-pyrazolyl)methyl]-1-(phenylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-benzyl-4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-benzyl-4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-4-ium-2-yl]ethanol Formula: C19H29N4O+ MolecularWeight: 329.45976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C[NH+]2CCN(C(C2)CCO)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=NN(C=C1C[NH+]2CCN([C@H](C2)CCO)CC3=CC=CC=C3)C

InChI

InChI=1S/C19H28N4O/c1-16-18(13-21(2)20-16)14-22-9-10-23(19(15-22)8-11-24)12-17-6-4-3-5-7-17/h3-7,13,19,24H,8-12,14-15H2,1-2H3/p+1/t19-/m0/s1