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

Systemtic Name: 2-[(2S)-1-cyclopentyl-4-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-cyclopentyl-4-[[1-(2-pyridyl)pyrrol-2-yl]methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-cyclopentyl-4-[[1-(2-pyridinyl)-2-pyrrolyl]methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-cyclopentyl-4-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-cyclopentyl-4-[[1-(2-pyridyl)pyrrol-2-yl]methyl]piperazin-1-ium-2-yl]ethanol Formula: C21H31N4O+ MolecularWeight: 355.49704

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]2CCN(CC2CCO)CC3=CC=CN3C4=CC=CC=N4

Isomeric SMILES

C1CCC(C1)[NH+]2CCN(C[C@@H]2CCO)CC3=CC=CN3C4=CC=CC=N4

InChI

InChI=1S/C21H30N4O/c26-15-10-20-17-23(13-14-24(20)18-6-1-2-7-18)16-19-8-5-12-25(19)21-9-3-4-11-22-21/h3-5,8-9,11-12,18,20,26H,1-2,6-7,10,13-17H2/p+1/t20-/m0/s1