2-[(2S)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-phenethyl-piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-phenethyl-piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-phenethyl-piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-phenethyl-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-phenethylpiperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-phenethyl-piperazin-4-ium-2-yl]ethanol Formula: C19H29N4O+ MolecularWeight: 329.45976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)C[NH+]2CCN(C(C2)CCO)CCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NN1)C[NH+]2CCN([C@H](C2)CCO)CCC3=CC=CC=C3

InChI

InChI=1S/C19H28N4O/c1-16-13-18(21-20-16)14-22-10-11-23(19(15-22)8-12-24)9-7-17-5-3-2-4-6-17/h2-6,13,19,24H,7-12,14-15H2,1H3,(H,20,21)/p+1/t19-/m0/s1