1-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-3-(phenylmethyl)urea

Systemtic Name: 1-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-3-(phenylmethyl)urea Openeye Name: 1-benzyl-3-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]urea CAS Name: 1-[(2R)-2-(4-methyl-1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]-3-(phenylmethyl)urea IUPAC Name: 1-benzyl-3-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-ylethyl]urea Traditional Name: 1-benzyl-3-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]urea Formula: C20H28N3OS+ MolecularWeight: 358.52082

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(CNC(=O)NCC2=CC=CC=C2)C3=CC=CS3

Isomeric SMILES

CC1CC[NH+](CC1)[C@H](CNC(=O)NCC2=CC=CC=C2)C3=CC=CS3

InChI

InChI=1S/C20H27N3OS/c1-16-9-11-23(12-10-16)18(19-8-5-13-25-19)15-22-20(24)21-14-17-6-3-2-4-7-17/h2-8,13,16,18H,9-12,14-15H2,1H3,(H2,21,22,24)/p+1/t18-/m1/s1