1-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-3-(2-thiophen-2-ylethyl)urea

Systemtic Name: 1-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-3-(2-thiophen-2-ylethyl)urea Openeye Name: 1-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-3-[2-(2-thienyl)ethyl]urea CAS Name: 1-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]-3-(2-thiophen-2-ylethyl)urea IUPAC Name: 1-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-3-(2-thiophen-2-ylethyl)urea Traditional Name: 1-[4-(piperidin-1-ium-1-ylmethyl)benzyl]-3-[2-(2-thienyl)ethyl]urea Formula: C20H28N3OS+ MolecularWeight: 358.52082

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)NCCC3=CC=CS3

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)NCCC3=CC=CS3

InChI

InChI=1S/C20H27N3OS/c24-20(21-11-10-19-5-4-14-25-19)22-15-17-6-8-18(9-7-17)16-23-12-2-1-3-13-23/h4-9,14H,1-3,10-13,15-16H2,(H2,21,22,24)/p+1