1-(4-methylsulfanylphenyl)-3-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]urea

Systemtic Name: 1-(4-methylsulfanylphenyl)-3-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]urea Openeye Name: 1-(4-methylsulfanylphenyl)-3-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]urea CAS Name: 1-[4-(methylthio)phenyl]-3-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]urea IUPAC Name: 1-(4-methylsulfanylphenyl)-3-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]urea Traditional Name: 1-[4-(methylthio)phenyl]-3-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]urea Formula: C19H24N3OS+ MolecularWeight: 342.47836

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC(=O)NCC[NH+]2CCC3=CC=CC=C3C2

Isomeric SMILES

CSC1=CC=C(C=C1)NC(=O)NCC[NH+]2CCC3=CC=CC=C3C2

InChI

InChI=1S/C19H23N3OS/c1-24-18-8-6-17(7-9-18)21-19(23)20-11-13-22-12-10-15-4-2-3-5-16(15)14-22/h2-9H,10-14H2,1H3,(H2,20,21,23)/p+1