(2S)-1-(diphenylmethyl)oxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-2-ol

Systemtic Name: (2S)-1-(diphenylmethyl)oxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-2-ol Openeye Name: (2S)-1-benzhydryloxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-2-ol CAS Name: (2S)-1-(diphenylmethyl)oxy-3-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]-2-propanol IUPAC Name: (2S)-1-benzhydryloxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-2-ol Traditional Name: (2S)-1-benzhydryloxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-2-ol Formula: C25H31N3O2+2 MolecularWeight: 405.53254

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(COC(C2=CC=CC=C2)C3=CC=CC=C3)O)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CC[NH+]1C[C@@H](COC(C2=CC=CC=C2)C3=CC=CC=C3)O)C4=CC=CC=[NH+]4

InChI

InChI=1S/C25H29N3O2/c29-23(19-27-15-17-28(18-16-27)24-13-7-8-14-26-24)20-30-25(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-14,23,25,29H,15-20H2/p+2/t23-/m0/s1