2-[(2S)-4-[(2,4-dimethyl-6-pyrazol-1-yl-phenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(2,4-dimethyl-6-pyrazol-1-yl-phenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(2,4-dimethyl-6-pyrazol-1-yl-phenyl)methyl]-1-(1-isopropyl-4-piperidyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[[2,4-dimethyl-6-(1-pyrazolyl)phenyl]methyl]-1-(1-propan-2-yl-4-piperidinyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(2,4-dimethyl-6-pyrazol-1-yl-benzyl)-1-(1-isopropyl-4-piperidyl)piperazin-1-ium-2-yl]ethanol Formula: C26H42N5O+ MolecularWeight: 440.64458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)N2C=CC=N2)CN3CC[NH+](C(C3)CCO)C4CCN(CC4)C(C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)N2C=CC=N2)CN3CC[NH+]([C@H](C3)CCO)C4CCN(CC4)C(C)C)C

InChI

InChI=1S/C26H41N5O/c1-20(2)29-11-6-23(7-12-29)30-14-13-28(18-24(30)8-15-32)19-25-22(4)16-21(3)17-26(25)31-10-5-9-27-31/h5,9-10,16-17,20,23-24,32H,6-8,11-15,18-19H2,1-4H3/p+1/t24-/m0/s1