2-(3-phenylsulfanylpropyl)-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: 2-(3-phenylsulfanylpropyl)-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 2-(3-phenylsulfanylpropyl)-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 2-[3-(phenylthio)propyl]-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 2-(3-phenylsulfanylpropyl)-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 2-[3-(phenylthio)propyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C18H22NS+ MolecularWeight: 284.43898

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CCCSC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CCCSC3=CC=CC=C3

InChI

InChI=1S/C18H21NS/c1-2-9-18(10-3-1)20-14-6-12-19-13-11-16-7-4-5-8-17(16)15-19/h1-5,7-10H,6,11-15H2/p+1