2-[(2S)-1-[(3-methoxyphenyl)methyl]-4-[(1-methylpyrazol-4-yl)methyl]piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-[(3-methoxyphenyl)methyl]-4-[(1-methylpyrazol-4-yl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(3-methoxyphenyl)methyl]-4-[(1-methylpyrazol-4-yl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(3-methoxyphenyl)methyl]-4-[(1-methyl-4-pyrazolyl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(3-methoxyphenyl)methyl]-4-[(1-methylpyrazol-4-yl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-m-anisyl-4-[(1-methylpyrazol-4-yl)methyl]piperazin-4-ium-2-yl]ethanol Formula: C19H29N4O2+ MolecularWeight: 345.45916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N4O2/c1-21-12-17(11-20-21)13-22-7-8-23(18(15-22)6-9-24)14-16-4-3-5-19(10-16)25-2/h3-5,10-12,18,24H,6-9,13-15H2,1-2H3/p+1/t18-/m0/s1