2-[(2S)-4-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-1-[(4-methoxy-3-methyl-phenyl)methyl]piperazin-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-1-[(4-methoxy-3-methyl-phenyl)methyl]piperazin-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-1-[(4-methoxy-3-methyl-phenyl)methyl]piperazin-2-yl]ethanol CAS Name: 2-[(2S)-4-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-1-[(4-methoxy-3-methylphenyl)methyl]-2-piperazinyl]ethanol IUPAC Name: 2-[(2S)-4-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-1-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-1-(4-methoxy-3-methyl-benzyl)piperazin-2-yl]ethanol Formula: C21H33N4O2+ MolecularWeight: 373.51232

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(NC=C1)CN2CCN(C(C2)CCO)CC3=CC(=C(C=C3)OC)C

Isomeric SMILES

CC[N+]1=C(NC=C1)CN2CCN([C@H](C2)CCO)CC3=CC(=C(C=C3)OC)C

InChI

InChI=1S/C21H32N4O2/c1-4-24-9-8-22-21(24)16-23-10-11-25(19(15-23)7-12-26)14-18-5-6-20(27-3)17(2)13-18/h5-6,8-9,13,19,26H,4,7,10-12,14-16H2,1-3H3/p+1/t19-/m0/s1