2-[(2S)-1-(2-methylpropyl)-4-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-(2-methylpropyl)-4-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-isobutyl-4-[[1-(3-pyridyl)pyrrol-2-yl]methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(2-methylpropyl)-4-[[1-(3-pyridinyl)-2-pyrrolyl]methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(2-methylpropyl)-4-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-isobutyl-4-[[1-(3-pyridyl)pyrrol-2-yl]methyl]piperazin-1-ium-2-yl]ethanol Formula: C20H31N4O+ MolecularWeight: 343.48634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+]1CCN(CC1CCO)CC2=CC=CN2C3=CN=CC=C3

Isomeric SMILES

CC(C)C[NH+]1CCN(C[C@@H]1CCO)CC2=CC=CN2C3=CN=CC=C3

InChI

InChI=1S/C20H30N4O/c1-17(2)14-23-11-10-22(15-19(23)7-12-25)16-20-6-4-9-24(20)18-5-3-8-21-13-18/h3-6,8-9,13,17,19,25H,7,10-12,14-16H2,1-2H3/p+1/t19-/m0/s1