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

Systemtic Name: 1-(4-methylsulfanylphenyl)-3-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]urea Openeye Name: 1-(4-methylsulfanylphenyl)-3-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]urea CAS Name: 1-[4-(methylthio)phenyl]-3-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]urea IUPAC Name: 1-(4-methylsulfanylphenyl)-3-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]urea Traditional Name: 1-[4-(methylthio)phenyl]-3-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]urea Formula: C20H26N3OS+ MolecularWeight: 356.50494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3OS/c1-25-19-9-7-18(8-10-19)22-20(24)21-12-4-13-23-14-11-16-5-2-3-6-17(16)15-23/h2-3,5-10H,4,11-15H2,1H3,(H2,21,22,24)/p+1