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

Systemtic Name: 2-[(2S)-1-(1-propan-2-ylpiperidin-4-yl)-4-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(1-isopropyl-4-piperidyl)-4-[[1-(2-pyridyl)pyrrol-2-yl]methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(1-propan-2-yl-4-piperidinyl)-4-[[1-(2-pyridinyl)-2-pyrrolyl]methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(1-propan-2-ylpiperidin-4-yl)-4-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(1-isopropyl-4-piperidyl)-4-[[1-(2-pyridyl)pyrrol-2-yl]methyl]piperazin-1-ium-2-yl]ethanol Formula: C24H38N5O+ MolecularWeight: 412.59142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCC(CC1)[NH+]2CCN(CC2CCO)CC3=CC=CN3C4=CC=CC=N4

Isomeric SMILES

CC(C)N1CCC(CC1)[NH+]2CCN(C[C@@H]2CCO)CC3=CC=CN3C4=CC=CC=N4

InChI

InChI=1S/C24H37N5O/c1-20(2)27-13-8-21(9-14-27)28-16-15-26(19-23(28)10-17-30)18-22-6-5-12-29(22)24-7-3-4-11-25-24/h3-7,11-12,20-21,23,30H,8-10,13-19H2,1-2H3/p+1/t23-/m0/s1