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

Systemtic Name: 2-[(2S)-4-[(1-methyl-3-phenyl-pyrazol-4-yl)methyl]-1-(1-methylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(1-methyl-3-phenyl-pyrazol-4-yl)methyl]-1-(1-methyl-4-piperidyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(1-methyl-3-phenyl-4-pyrazolyl)methyl]-1-(1-methyl-4-piperidinyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-1-(1-methylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(1-methyl-3-phenyl-pyrazol-4-yl)methyl]-1-(1-methyl-4-piperidyl)piperazin-1-ium-2-yl]ethanol Formula: C23H36N5O+ MolecularWeight: 398.56484

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)[NH+]2CCN(CC2CCO)CC3=CN(N=C3C4=CC=CC=C4)C

Isomeric SMILES

CN1CCC(CC1)[NH+]2CCN(C[C@@H]2CCO)CC3=CN(N=C3C4=CC=CC=C4)C

InChI

InChI=1S/C23H35N5O/c1-25-11-8-21(9-12-25)28-14-13-27(18-22(28)10-15-29)17-20-16-26(2)24-23(20)19-6-4-3-5-7-19/h3-7,16,21-22,29H,8-15,17-18H2,1-2H3/p+1/t22-/m0/s1