(2R)-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]-N-(2-thiophen-2-ylethyl)propanamide

Systemtic Name: (2R)-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]-N-(2-thiophen-2-ylethyl)propanamide Openeye Name: (2R)-2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-ium-1-yl]-N-[2-(2-thienyl)ethyl]propanamide CAS Name: (2R)-2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-1-iumyl]-N-(2-thiophen-2-ylethyl)propanamide IUPAC Name: (2R)-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]-N-(2-thiophen-2-ylethyl)propanamide Traditional Name: (2R)-2-[4-(coumaran-5-ylmethyl)piperazin-1-ium-1-yl]-N-[2-(2-thienyl)ethyl]propionamide Formula: C22H30N3O2S+ MolecularWeight: 400.5575

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CS1)[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCC4

Isomeric SMILES

C[C@H](C(=O)NCCC1=CC=CS1)[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C22H29N3O2S/c1-17(22(26)23-8-6-20-3-2-14-28-20)25-11-9-24(10-12-25)16-18-4-5-21-19(15-18)7-13-27-21/h2-5,14-15,17H,6-13,16H2,1H3,(H,23,26)/p+1/t17-/m1/s1