2-[(2S)-4-[[3-(3-methylphenyl)-1H-imidazol-3-ium-2-yl]methyl]-1-propan-2-yl-piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[[3-(3-methylphenyl)-1H-imidazol-3-ium-2-yl]methyl]-1-propan-2-yl-piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-isopropyl-4-[[3-(m-tolyl)-1H-imidazol-3-ium-2-yl]methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[[3-(3-methylphenyl)-1H-imidazol-3-ium-2-yl]methyl]-1-propan-2-yl-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[[3-(3-methylphenyl)-1H-imidazol-3-ium-2-yl]methyl]-1-propan-2-ylpiperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-isopropyl-4-[[3-(m-tolyl)-1H-imidazol-3-ium-2-yl]methyl]piperazin-1-ium-2-yl]ethanol Formula: C20H32N4O+2 MolecularWeight: 344.49428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)[N+]2=C(NC=C2)CN3CC[NH+](C(C3)CCO)C(C)C

Isomeric SMILES

CC1=CC(=CC=C1)[N+]2=C(NC=C2)CN3CC[NH+]([C@H](C3)CCO)C(C)C

InChI

InChI=1S/C20H30N4O/c1-16(2)23-11-10-22(14-19(23)7-12-25)15-20-21-8-9-24(20)18-6-4-5-17(3)13-18/h4-6,8-9,13,16,19,25H,7,10-12,14-15H2,1-3H3/p+2/t19-/m0/s1