1-(3-methylsulfanylphenyl)-3-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]urea

Systemtic Name: 1-(3-methylsulfanylphenyl)-3-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]urea Openeye Name: 1-(3-methylsulfanylphenyl)-3-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]urea CAS Name: 1-[3-(methylthio)phenyl]-3-[4-(1-pyrrolidin-1-iumylmethyl)phenyl]urea IUPAC Name: 1-(3-methylsulfanylphenyl)-3-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]urea Traditional Name: 1-[3-(methylthio)phenyl]-3-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]urea Formula: C19H24N3OS+ MolecularWeight: 342.47836

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)NC2=CC=C(C=C2)C[NH+]3CCCC3

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)NC2=CC=C(C=C2)C[NH+]3CCCC3

InChI

InChI=1S/C19H23N3OS/c1-24-18-6-4-5-17(13-18)21-19(23)20-16-9-7-15(8-10-16)14-22-11-2-3-12-22/h4-10,13H,2-3,11-12,14H2,1H3,(H2,20,21,23)/p+1