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

Systemtic Name: 2-[(2S)-1-[(4-methoxy-3-methyl-phenyl)methyl]-4-(3-pyrazol-1-ylpropyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(4-methoxy-3-methyl-phenyl)methyl]-4-(3-pyrazol-1-ylpropyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(4-methoxy-3-methylphenyl)methyl]-4-[3-(1-pyrazolyl)propyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(4-methoxy-3-methylphenyl)methyl]-4-(3-pyrazol-1-ylpropyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(4-methoxy-3-methyl-benzyl)-4-(3-pyrazol-1-ylpropyl)piperazin-4-ium-2-yl]ethanol Formula: C21H33N4O2+ MolecularWeight: 373.51232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CN2CC[NH+](CC2CCO)CCCN3C=CC=N3)OC

Isomeric SMILES

CC1=C(C=CC(=C1)CN2CC[NH+](C[C@@H]2CCO)CCCN3C=CC=N3)OC

InChI

InChI=1S/C21H32N4O2/c1-18-15-19(5-6-21(18)27-2)16-24-13-12-23(17-20(24)7-14-26)9-4-11-25-10-3-8-22-25/h3,5-6,8,10,15,20,26H,4,7,9,11-14,16-17H2,1-2H3/p+1/t20-/m0/s1