2-[(2S)-1-[(6-methylpyridin-2-yl)methyl]-4-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-[(6-methylpyridin-2-yl)methyl]-4-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(6-methyl-2-pyridyl)methyl]-4-[[1-(3-pyridyl)pyrrol-2-yl]methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(6-methyl-2-pyridinyl)methyl]-4-[[1-(3-pyridinyl)-2-pyrrolyl]methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(6-methylpyridin-2-yl)methyl]-4-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-[(6-methyl-2-pyridyl)methyl]-4-[[1-(3-pyridyl)pyrrol-2-yl]methyl]piperazin-4-ium-2-yl]ethanol Formula: C23H30N5O+ MolecularWeight: 392.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CN2CC[NH+](CC2CCO)CC3=CC=CN3C4=CN=CC=C4

Isomeric SMILES

CC1=NC(=CC=C1)CN2CC[NH+](C[C@@H]2CCO)CC3=CC=CN3C4=CN=CC=C4

InChI

InChI=1S/C23H29N5O/c1-19-5-2-6-20(25-19)16-27-13-12-26(17-22(27)9-14-29)18-23-8-4-11-28(23)21-7-3-10-24-15-21/h2-8,10-11,15,22,29H,9,12-14,16-18H2,1H3/p+1/t22-/m0/s1