1-(3-methylsulfanylphenyl)-3-[1-(phenylmethyl)piperidin-1-ium-4-yl]urea

Systemtic Name: 1-(3-methylsulfanylphenyl)-3-[1-(phenylmethyl)piperidin-1-ium-4-yl]urea Openeye Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-(3-methylsulfanylphenyl)urea CAS Name: 1-[3-(methylthio)phenyl]-3-[1-(phenylmethyl)-4-piperidin-1-iumyl]urea IUPAC Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-(3-methylsulfanylphenyl)urea Traditional Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-[3-(methylthio)phenyl]urea Formula: C20H26N3OS+ MolecularWeight: 356.50494

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

InChI

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