1-[4-[7-(1-ethylpiperazin-1-ium-1-yl)thieno[2,3-c]pyridin-5-yl]phenoxy]ethanol

Systemtic Name: 1-[4-[7-(1-ethylpiperazin-1-ium-1-yl)thieno[2,3-c]pyridin-5-yl]phenoxy]ethanol Openeye Name: 1-[4-[7-(1-ethylpiperazin-1-ium-1-yl)thieno[2,3-c]pyridin-5-yl]phenoxy]ethanol CAS Name: 1-[4-[7-(1-ethyl-1-piperazin-1-iumyl)-5-thieno[2,3-c]pyridinyl]phenoxy]ethanol IUPAC Name: 1-[4-[7-(1-ethylpiperazin-1-ium-1-yl)thieno[2,3-c]pyridin-5-yl]phenoxy]ethanol Traditional Name: 1-[4-[7-(1-ethylpiperazin-1-ium-1-yl)thieno[2,3-c]pyridin-5-yl]phenoxy]ethanol Formula: C21H26N3O2S+ MolecularWeight: 384.51504

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCNCC1)C2=C3C(=CC(=N2)C4=CC=C(C=C4)OC(C)O)C=CS3

Isomeric SMILES

CC[N+]1(CCNCC1)C2=C3C(=CC(=N2)C4=CC=C(C=C4)OC(C)O)C=CS3

InChI

InChI=1S/C21H26N3O2S/c1-3-24(11-9-22-10-12-24)21-20-17(8-13-27-20)14-19(23-21)16-4-6-18(7-5-16)26-15(2)25/h4-8,13-15,22,25H,3,9-12H2,1-2H3/q+1