[(3S)-3-[[4-(morpholin-4-ium-4-ylmethyl)phenoxy]methyl]piperidin-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [(3S)-3-[[4-(morpholin-4-ium-4-ylmethyl)phenoxy]methyl]piperidin-1-yl]-thiophen-2-yl-methanone Openeye Name: [(3S)-3-[[4-(morpholin-4-ium-4-ylmethyl)phenoxy]methyl]-1-piperidyl]-(2-thienyl)methanone CAS Name: [(3S)-3-[[4-(4-morpholin-4-iumylmethyl)phenoxy]methyl]-1-piperidinyl]-thiophen-2-ylmethanone IUPAC Name: [(3S)-3-[[4-(morpholin-4-ium-4-ylmethyl)phenoxy]methyl]piperidin-1-yl]-thiophen-2-ylmethanone Traditional Name: [(3S)-3-[[4-(morpholin-4-ium-4-ylmethyl)phenoxy]methyl]piperidino]-(2-thienyl)methanone Formula: C22H29N2O3S+ MolecularWeight: 401.54226

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=CS2)COC3=CC=C(C=C3)C[NH+]4CCOCC4

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=CC=CS2)COC3=CC=C(C=C3)C[NH+]4CCOCC4

InChI

InChI=1S/C22H28N2O3S/c25-22(21-4-2-14-28-21)24-9-1-3-19(16-24)17-27-20-7-5-18(6-8-20)15-23-10-12-26-13-11-23/h2,4-8,14,19H,1,3,9-13,15-17H2/p+1/t19-/m0/s1