2-[(2S)-1-methyl-4-[(5-methyl-1,3-diphenyl-pyrazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-methyl-4-[(5-methyl-1,3-diphenyl-pyrazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-methyl-4-[(5-methyl-1,3-diphenyl-pyrazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-methyl-4-[(5-methyl-1,3-diphenyl-4-pyrazolyl)methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-methyl-4-[(5-methyl-1,3-diphenylpyrazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-methyl-4-[(5-methyl-1,3-diphenyl-pyrazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol Formula: C24H31N4O+ MolecularWeight: 391.52914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C3=CC=CC=C3)CN4CC[NH+](C(C4)CCO)C

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C3=CC=CC=C3)CN4CC[NH+]([C@H](C4)CCO)C

InChI

InChI=1S/C24H30N4O/c1-19-23(18-27-15-14-26(2)22(17-27)13-16-29)24(20-9-5-3-6-10-20)25-28(19)21-11-7-4-8-12-21/h3-12,22,29H,13-18H2,1-2H3/p+1/t22-/m0/s1