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

Systemtic Name: (2S)-1-piperidin-1-ium-1-yl-3-[4-[(4-pyrazin-2-ylpiperazin-1-ium-1-yl)methyl]phenoxy]propan-2-ol Openeye Name: (2S)-1-piperidin-1-ium-1-yl-3-[4-[(4-pyrazin-2-ylpiperazin-1-ium-1-yl)methyl]phenoxy]propan-2-ol CAS Name: (2S)-1-(1-piperidin-1-iumyl)-3-[4-[[4-(2-pyrazinyl)-1-piperazin-1-iumyl]methyl]phenoxy]-2-propanol IUPAC Name: (2S)-1-piperidin-1-ium-1-yl-3-[4-[(4-pyrazin-2-ylpiperazin-1-ium-1-yl)methyl]phenoxy]propan-2-ol Traditional Name: (2S)-1-piperidin-1-ium-1-yl-3-[4-[(4-pyrazin-2-ylpiperazin-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=C(C=C2)C[NH+]3CCN(CC3)C4=NC=CN=C4)O

Isomeric SMILES

C1CC[NH+](CC1)C[C@@H](COC2=CC=C(C=C2)C[NH+]3CCN(CC3)C4=NC=CN=C4)O

InChI

InChI=1S/C23H33N5O2/c29-21(18-26-10-2-1-3-11-26)19-30-22-6-4-20(5-7-22)17-27-12-14-28(15-13-27)23-16-24-8-9-25-23/h4-9,16,21,29H,1-3,10-15,17-19H2/p+2/t21-/m0/s1