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

Systemtic Name: (2S)-1-phenylmethoxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-2-ol Openeye Name: (2S)-1-benzyloxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-2-ol CAS Name: (2S)-1-phenylmethoxy-3-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]-2-propanol IUPAC Name: (2S)-1-phenylmethoxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-2-ol Traditional Name: (2S)-1-benzoxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-2-ol Formula: C19H27N3O2+2 MolecularWeight: 329.43658

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(COCC2=CC=CC=C2)O)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CC[NH+]1C[C@@H](COCC2=CC=CC=C2)O)C3=CC=CC=[NH+]3

InChI

InChI=1S/C19H25N3O2/c23-18(16-24-15-17-6-2-1-3-7-17)14-21-10-12-22(13-11-21)19-8-4-5-9-20-19/h1-9,18,23H,10-16H2/p+2/t18-/m0/s1