2-[(2S)-4-[(5-methyl-1-propyl-pyrazol-4-yl)methyl]-1-phenethyl-piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(5-methyl-1-propyl-pyrazol-4-yl)methyl]-1-phenethyl-piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(5-methyl-1-propyl-pyrazol-4-yl)methyl]-1-phenethyl-piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(5-methyl-1-propyl-4-pyrazolyl)methyl]-1-phenethyl-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-phenethylpiperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(5-methyl-1-propyl-pyrazol-4-yl)methyl]-1-phenethyl-piperazin-4-ium-2-yl]ethanol Formula: C22H35N4O+ MolecularWeight: 371.5395

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C=N1)C[NH+]2CCN(C(C2)CCO)CCC3=CC=CC=C3)C

Isomeric SMILES

CCCN1C(=C(C=N1)C[NH+]2CCN([C@H](C2)CCO)CCC3=CC=CC=C3)C

InChI

InChI=1S/C22H34N4O/c1-3-11-26-19(2)21(16-23-26)17-24-13-14-25(22(18-24)10-15-27)12-9-20-7-5-4-6-8-20/h4-8,16,22,27H,3,9-15,17-18H2,1-2H3/p+1/t22-/m0/s1