3-[4-[(E)-2-(1-methylquinolin-1-ium-2-yl)-1-methylsulfanyl-ethenyl]piperazin-1-yl]propan-1-ol

Systemtic Name: 3-[4-[(E)-2-(1-methylquinolin-1-ium-2-yl)-1-methylsulfanyl-ethenyl]piperazin-1-yl]propan-1-ol Openeye Name: 3-[4-[(E)-2-(1-methylquinolin-1-ium-2-yl)-1-methylsulfanyl-vinyl]piperazin-1-yl]propan-1-ol CAS Name: 3-[4-[(E)-2-(1-methyl-2-quinolin-1-iumyl)-1-(methylthio)ethenyl]-1-piperazinyl]-1-propanol IUPAC Name: 3-[4-[(E)-2-(1-methylquinolin-1-ium-2-yl)-1-methylsulfanylethenyl]piperazin-1-yl]propan-1-ol Traditional Name: 3-[4-[(E)-2-(1-methylquinolin-1-ium-2-yl)-1-(methylthio)vinyl]piperazino]propan-1-ol Formula: C20H28N3OS+ MolecularWeight: 358.52082

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C=CC2=CC=CC=C21)C=C(N3CCN(CC3)CCCO)SC

Isomeric SMILES

C[N+]1=C(C=CC2=CC=CC=C21)/C=C(\N3CCN(CC3)CCCO)/SC

InChI

InChI=1S/C20H28N3OS/c1-21-18(9-8-17-6-3-4-7-19(17)21)16-20(25-2)23-13-11-22(12-14-23)10-5-15-24/h3-4,6-9,16,24H,5,10-15H2,1-2H3/q+1