2-[(2S)-1-[(6-methylpyridin-2-yl)methyl]-4-[(1-phenylpyrazol-4-yl)methyl]piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-[(6-methylpyridin-2-yl)methyl]-4-[(1-phenylpyrazol-4-yl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(6-methyl-2-pyridyl)methyl]-4-[(1-phenylpyrazol-4-yl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(6-methyl-2-pyridinyl)methyl]-4-[(1-phenyl-4-pyrazolyl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(6-methylpyridin-2-yl)methyl]-4-[(1-phenylpyrazol-4-yl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-[(6-methyl-2-pyridyl)methyl]-4-[(1-phenylpyrazol-4-yl)methyl]piperazin-4-ium-2-yl]ethanol Formula: C23H30N5O+ MolecularWeight: 392.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CN2CC[NH+](CC2CCO)CC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=NC(=CC=C1)CN2CC[NH+](C[C@@H]2CCO)CC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H29N5O/c1-19-6-5-7-21(25-19)17-27-12-11-26(18-23(27)10-13-29)15-20-14-24-28(16-20)22-8-3-2-4-9-22/h2-9,14,16,23,29H,10-13,15,17-18H2,1H3/p+1/t23-/m0/s1