1-tert-butyl-3-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-thiophen-2-yl-ethyl]urea

Systemtic Name: 1-tert-butyl-3-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-thiophen-2-yl-ethyl]urea Openeye Name: 1-tert-butyl-3-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-(2-thienyl)ethyl]urea CAS Name: 1-tert-butyl-3-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-thiophen-2-ylethyl]urea IUPAC Name: 1-tert-butyl-3-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-thiophen-2-ylethyl]urea Traditional Name: 1-tert-butyl-3-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-(2-thienyl)ethyl]urea Formula: C20H28N3OS+ MolecularWeight: 358.52082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NCC(C1=CC=CS1)[NH+]2CCC3=CC=CC=C3C2

Isomeric SMILES

CC(C)(C)NC(=O)NC[C@H](C1=CC=CS1)[NH+]2CCC3=CC=CC=C3C2

InChI

InChI=1S/C20H27N3OS/c1-20(2,3)22-19(24)21-13-17(18-9-6-12-25-18)23-11-10-15-7-4-5-8-16(15)14-23/h4-9,12,17H,10-11,13-14H2,1-3H3,(H2,21,22,24)/p+1/t17-/m1/s1