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

Systemtic Name: 1-cyclohexyl-3-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-thiophen-2-yl-ethyl]urea Openeye Name: 1-cyclohexyl-3-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-(2-thienyl)ethyl]urea CAS Name: 1-cyclohexyl-3-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-thiophen-2-ylethyl]urea IUPAC Name: 1-cyclohexyl-3-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-thiophen-2-ylethyl]urea Traditional Name: 1-cyclohexyl-3-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-(2-thienyl)ethyl]urea Formula: C22H30N3OS+ MolecularWeight: 384.5581

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)NCC(C2=CC=CS2)[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

C1CCC(CC1)NC(=O)NC[C@H](C2=CC=CS2)[NH+]3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H29N3OS/c26-22(24-19-9-2-1-3-10-19)23-15-20(21-11-6-14-27-21)25-13-12-17-7-4-5-8-18(17)16-25/h4-8,11,14,19-20H,1-3,9-10,12-13,15-16H2,(H2,23,24,26)/p+1/t20-/m1/s1