2-[(2S)-1-[(4-ethoxyphenyl)methyl]-4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-[(4-ethoxyphenyl)methyl]-4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(4-ethoxyphenyl)methyl]-4-[(1-isopropylpyrazol-4-yl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(4-ethoxyphenyl)methyl]-4-[(1-propan-2-yl-4-pyrazolyl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(4-ethoxyphenyl)methyl]-4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(4-ethoxybenzyl)-4-[(1-isopropylpyrazol-4-yl)methyl]piperazin-4-ium-2-yl]ethanol Formula: C22H35N4O2+ MolecularWeight: 387.5389

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN2CC[NH+](CC2CCO)CC3=CN(N=C3)C(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2CC[NH+](C[C@@H]2CCO)CC3=CN(N=C3)C(C)C

InChI

InChI=1S/C22H34N4O2/c1-4-28-22-7-5-19(6-8-22)15-25-11-10-24(17-21(25)9-12-27)14-20-13-23-26(16-20)18(2)3/h5-8,13,16,18,21,27H,4,9-12,14-15,17H2,1-3H3/p+1/t21-/m0/s1