2-[(2S)-4-[(1-methylpyrazol-4-yl)methyl]-1-(phenylmethyl)piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(1-methylpyrazol-4-yl)methyl]-1-(phenylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-benzyl-4-[(1-methylpyrazol-4-yl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(1-methyl-4-pyrazolyl)methyl]-1-(phenylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-benzyl-4-[(1-methylpyrazol-4-yl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-benzyl-4-[(1-methylpyrazol-4-yl)methyl]piperazin-4-ium-2-yl]ethanol Formula: C18H27N4O+ MolecularWeight: 315.43318

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C[NH+]2CCN(C(C2)CCO)CC3=CC=CC=C3

Isomeric SMILES

CN1C=C(C=N1)C[NH+]2CCN([C@H](C2)CCO)CC3=CC=CC=C3

InChI

InChI=1S/C18H26N4O/c1-20-12-17(11-19-20)13-21-8-9-22(18(15-21)7-10-23)14-16-5-3-2-4-6-16/h2-6,11-12,18,23H,7-10,13-15H2,1H3/p+1/t18-/m0/s1