2-[(2S)-1-[(6-methylpyridin-2-yl)methyl]-4-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-[(6-methylpyridin-2-yl)methyl]-4-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(6-methyl-2-pyridyl)methyl]-4-[[1-(2-pyridyl)pyrrol-2-yl]methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(6-methyl-2-pyridinyl)methyl]-4-[[1-(2-pyridinyl)-2-pyrrolyl]methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(6-methylpyridin-2-yl)methyl]-4-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-[(6-methyl-2-pyridyl)methyl]-4-[[1-(2-pyridyl)pyrrol-2-yl]methyl]piperazin-4-ium-2-yl]ethanol Formula: C23H30N5O+ MolecularWeight: 392.5172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CN2CC[NH+](CC2CCO)CC3=CC=CN3C4=CC=CC=N4

Isomeric SMILES

CC1=NC(=CC=C1)CN2CC[NH+](C[C@@H]2CCO)CC3=CC=CN3C4=CC=CC=N4

InChI

InChI=1S/C23H29N5O/c1-19-6-4-7-20(25-19)16-27-14-13-26(17-21(27)10-15-29)18-22-8-5-12-28(22)23-9-2-3-11-24-23/h2-9,11-12,21,29H,10,13-18H2,1H3/p+1/t21-/m0/s1