2-[(2S)-4-[(1-methyl-3-phenyl-pyrazol-4-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(1-methyl-3-phenyl-pyrazol-4-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(1-isopropyl-4-piperidyl)-4-[(1-methyl-3-phenyl-pyrazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(1-methyl-3-phenyl-4-pyrazolyl)methyl]-1-(1-propan-2-yl-4-piperidinyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(1-isopropyl-4-piperidyl)-4-[(1-methyl-3-phenyl-pyrazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol Formula: C25H40N5O+ MolecularWeight: 426.618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCC(CC1)[NH+]2CCN(CC2CCO)CC3=CN(N=C3C4=CC=CC=C4)C

Isomeric SMILES

CC(C)N1CCC(CC1)[NH+]2CCN(C[C@@H]2CCO)CC3=CN(N=C3C4=CC=CC=C4)C

InChI

InChI=1S/C25H39N5O/c1-20(2)29-12-9-23(10-13-29)30-15-14-28(19-24(30)11-16-31)18-22-17-27(3)26-25(22)21-7-5-4-6-8-21/h4-8,17,20,23-24,31H,9-16,18-19H2,1-3H3/p+1/t24-/m0/s1