2-[5-[3-(5-chloranyl-2-phenylmethoxy-phenyl)thiophen-2-yl]pyridin-1-ium-3-yl]propan-2-ol

Systemtic Name: 2-[5-[3-(5-chloranyl-2-phenylmethoxy-phenyl)thiophen-2-yl]pyridin-1-ium-3-yl]propan-2-ol Openeye Name: 2-[5-[3-(2-benzyloxy-5-chloro-phenyl)-2-thienyl]pyridin-1-ium-3-yl]propan-2-ol CAS Name: 2-[5-[3-(5-chloro-2-phenylmethoxyphenyl)-2-thiophenyl]-3-pyridin-1-iumyl]-2-propanol IUPAC Name: 2-[5-[3-(5-chloro-2-phenylmethoxyphenyl)thiophen-2-yl]pyridin-1-ium-3-yl]propan-2-ol Traditional Name: 2-[5-[3-(2-benzoxy-5-chloro-phenyl)-2-thienyl]pyridin-1-ium-3-yl]propan-2-ol Formula: C25H23ClNO2S+ MolecularWeight: 436.97362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=C[NH+]=CC(=C1)C2=C(C=CS2)C3=C(C=CC(=C3)Cl)OCC4=CC=CC=C4)O

Isomeric SMILES

CC(C)(C1=C[NH+]=CC(=C1)C2=C(C=CS2)C3=C(C=CC(=C3)Cl)OCC4=CC=CC=C4)O

InChI

InChI=1S/C25H22ClNO2S/c1-25(2,28)19-12-18(14-27-15-19)24-21(10-11-30-24)22-13-20(26)8-9-23(22)29-16-17-6-4-3-5-7-17/h3-15,28H,16H2,1-2H3/p+1