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

Systemtic Name: 1-methyl-3-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-1-(phenylmethyl)urea Openeye Name: 1-benzyl-1-methyl-3-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]urea CAS Name: 1-methyl-3-[(2R)-2-(4-methyl-1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]-1-(phenylmethyl)urea IUPAC Name: 1-benzyl-1-methyl-3-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-ylethyl]urea Traditional Name: 1-benzyl-1-methyl-3-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]urea Formula: C21H30N3OS+ MolecularWeight: 372.5474

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(CNC(=O)N(C)CC2=CC=CC=C2)C3=CC=CS3

Isomeric SMILES

CC1CC[NH+](CC1)[C@H](CNC(=O)N(C)CC2=CC=CC=C2)C3=CC=CS3

InChI

InChI=1S/C21H29N3OS/c1-17-10-12-24(13-11-17)19(20-9-6-14-26-20)15-22-21(25)23(2)16-18-7-4-3-5-8-18/h3-9,14,17,19H,10-13,15-16H2,1-2H3,(H,22,25)/p+1/t19-/m1/s1