4-tert-butyl-N-[(1R,2R)-1-pyrrolidin-1-ium-1-yl-1-thiophen-2-yl-propan-2-yl]cyclohexane-1-carboxamide

Systemtic Name: 4-tert-butyl-N-[(1R,2R)-1-pyrrolidin-1-ium-1-yl-1-thiophen-2-yl-propan-2-yl]cyclohexane-1-carboxamide Openeye Name: 4-tert-butyl-N-[(1R,2R)-1-methyl-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]cyclohexanecarboxamide CAS Name: 4-tert-butyl-N-[(1R,2R)-1-(1-pyrrolidin-1-iumyl)-1-thiophen-2-ylpropan-2-yl]-1-cyclohexanecarboxamide IUPAC Name: 4-tert-butyl-N-[(1R,2R)-1-pyrrolidin-1-ium-1-yl-1-thiophen-2-ylpropan-2-yl]cyclohexane-1-carboxamide Traditional Name: 4-tert-butyl-N-[(1R,2R)-1-methyl-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]cyclohexanecarboxamide Formula: C22H37N2OS+ MolecularWeight: 377.60698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CS1)[NH+]2CCCC2)NC(=O)C3CCC(CC3)C(C)(C)C

Isomeric SMILES

C[C@H]([C@H](C1=CC=CS1)[NH+]2CCCC2)NC(=O)C3CCC(CC3)C(C)(C)C

InChI

InChI=1S/C22H36N2OS/c1-16(20(19-8-7-15-26-19)24-13-5-6-14-24)23-21(25)17-9-11-18(12-10-17)22(2,3)4/h7-8,15-18,20H,5-6,9-14H2,1-4H3,(H,23,25)/p+1/t16-,17?,18?,20-/m1/s1