(2S)-1-piperidin-1-ium-1-yl-3-[2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenoxy]propan-2-ol

Systemtic Name: (2S)-1-piperidin-1-ium-1-yl-3-[2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenoxy]propan-2-ol Openeye Name: (2S)-1-piperidin-1-ium-1-yl-3-[2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenoxy]propan-2-ol CAS Name: (2S)-1-(1-piperidin-1-iumyl)-3-[2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]phenoxy]-2-propanol IUPAC Name: (2S)-1-piperidin-1-ium-1-yl-3-[2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenoxy]propan-2-ol Traditional Name: (2S)-1-piperidin-1-ium-1-yl-3-[2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]phenoxy]propan-2-ol Formula: C23H35N5O2+2 MolecularWeight: 413.5563

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(COC2=CC=CC=C2C[NH+]3CCN(CC3)C4=NC=CC=N4)O

Isomeric SMILES

C1CC[NH+](CC1)C[C@@H](COC2=CC=CC=C2C[NH+]3CCN(CC3)C4=NC=CC=N4)O

InChI

InChI=1S/C23H33N5O2/c29-21(18-26-11-4-1-5-12-26)19-30-22-8-3-2-7-20(22)17-27-13-15-28(16-14-27)23-24-9-6-10-25-23/h2-3,6-10,21,29H,1,4-5,11-19H2/p+2/t21-/m0/s1