(2S)-1-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-(4-phenylpyridin-1-ium-1-yl)propan-2-ol

Systemtic Name: (2S)-1-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-(4-phenylpyridin-1-ium-1-yl)propan-2-ol Openeye Name: (2S)-1-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-(4-phenylpyridin-1-ium-1-yl)propan-2-ol CAS Name: (2S)-1-[4-(dimethylamino)-1-pyridin-1-iumyl]-3-(4-phenyl-1-pyridin-1-iumyl)-2-propanol IUPAC Name: (2S)-1-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-(4-phenylpyridin-1-ium-1-yl)propan-2-ol Traditional Name: (2S)-1-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-(4-phenylpyridin-1-ium-1-yl)propan-2-ol Formula: C21H25N3O+2 MolecularWeight: 335.4427

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=[N+](C=C1)CC(C[N+]2=CC=C(C=C2)C3=CC=CC=C3)O

Isomeric SMILES

CN(C)C1=CC=[N+](C=C1)C[C@H](C[N+]2=CC=C(C=C2)C3=CC=CC=C3)O

InChI

InChI=1S/C21H25N3O/c1-22(2)20-10-14-24(15-11-20)17-21(25)16-23-12-8-19(9-13-23)18-6-4-3-5-7-18/h3-15,21,25H,16-17H2,1-2H3/q+2/t21-/m0/s1