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

Systemtic Name: 2-[(2S)-1-methyl-4-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-methyl-4-[[1-(2-pyridyl)pyrrol-2-yl]methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-methyl-4-[[1-(2-pyridinyl)-2-pyrrolyl]methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-methyl-4-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-methyl-4-[[1-(2-pyridyl)pyrrol-2-yl]methyl]piperazin-1-ium-2-yl]ethanol Formula: C17H25N4O+ MolecularWeight: 301.4066

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1CCO)CC2=CC=CN2C3=CC=CC=N3

Isomeric SMILES

C[NH+]1CCN(C[C@@H]1CCO)CC2=CC=CN2C3=CC=CC=N3

InChI

InChI=1S/C17H24N4O/c1-19-10-11-20(13-15(19)7-12-22)14-16-5-4-9-21(16)17-6-2-3-8-18-17/h2-6,8-9,15,22H,7,10-14H2,1H3/p+1/t15-/m0/s1