N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanamide

Systemtic Name: N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanamide Openeye Name: N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-2-[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]acetamide CAS Name: N-(5-spiro[1,3-benzodioxole-2,1'-cyclohexane]yl)-2-[(2R)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]acetamide IUPAC Name: N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide Traditional Name: N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-2-[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]acetamide Formula: C22H27N2O3S+ MolecularWeight: 399.52638

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)OC3=C(O2)C=C(C=C3)NC(=O)C[NH+]4CCCC4C5=CC=CS5

Isomeric SMILES

C1CCC2(CC1)OC3=C(O2)C=C(C=C3)NC(=O)C[NH+]4CCC[C@@H]4C5=CC=CS5

InChI

InChI=1S/C22H26N2O3S/c25-21(15-24-12-4-6-17(24)20-7-5-13-28-20)23-16-8-9-18-19(14-16)27-22(26-18)10-2-1-3-11-22/h5,7-9,13-14,17H,1-4,6,10-12,15H2,(H,23,25)/p+1/t17-/m1/s1