N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanamide

Systemtic Name: N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanamide Openeye Name: N-[[4-(morpholinomethyl)phenyl]methyl]-2-[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]acetamide CAS Name: N-[[4-(4-morpholinylmethyl)phenyl]methyl]-2-[(2S)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]acetamide IUPAC Name: N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide Traditional Name: N-[4-(morpholinomethyl)benzyl]-2-[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]acetamide Formula: C22H30N3O2S+ MolecularWeight: 400.5575

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC(=O)NCC2=CC=C(C=C2)CN3CCOCC3)C4=CC=CS4

Isomeric SMILES

C1C[C@H]([NH+](C1)CC(=O)NCC2=CC=C(C=C2)CN3CCOCC3)C4=CC=CS4

InChI

InChI=1S/C22H29N3O2S/c26-22(17-25-9-1-3-20(25)21-4-2-14-28-21)23-15-18-5-7-19(8-6-18)16-24-10-12-27-13-11-24/h2,4-8,14,20H,1,3,9-13,15-17H2,(H,23,26)/p+1/t20-/m0/s1