2-[(2S)-1-[(2-methylphenyl)methyl]-4-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-[(2-methylphenyl)methyl]-4-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]-1-(o-tolylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(2-methylphenyl)methyl]-4-[(3-methyl-1-propyl-4-pyrazolyl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(2-methylphenyl)methyl]-4-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(2-methylbenzyl)-4-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]piperazin-4-ium-2-yl]ethanol Formula: C22H35N4O+ MolecularWeight: 371.5395

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C(=N1)C)C[NH+]2CCN(C(C2)CCO)CC3=CC=CC=C3C

Isomeric SMILES

CCCN1C=C(C(=N1)C)C[NH+]2CCN([C@H](C2)CCO)CC3=CC=CC=C3C

InChI

InChI=1S/C22H34N4O/c1-4-10-26-16-21(19(3)23-26)14-24-11-12-25(22(17-24)9-13-27)15-20-8-6-5-7-18(20)2/h5-8,16,22,27H,4,9-15,17H2,1-3H3/p+1/t22-/m0/s1