[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-(6-thiomorpholin-4-ylpyridin-1-ium-3-yl)methanone

Systemtic Name: [(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-(6-thiomorpholin-4-ylpyridin-1-ium-3-yl)methanone Openeye Name: [(3R)-3-(imidazol-1-ylmethyl)-1-piperidyl]-(6-thiomorpholinopyridin-1-ium-3-yl)methanone CAS Name: [(3R)-3-(1-imidazolylmethyl)-1-piperidinyl]-(6-thiomorpholin-4-yl-3-pyridin-1-iumyl)methanone IUPAC Name: [(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-(6-thiomorpholin-4-ylpyridin-1-ium-3-yl)methanone Traditional Name: [(3R)-3-(imidazol-1-ylmethyl)piperidino]-(6-thiomorpholinopyridin-1-ium-3-yl)methanone Formula: C19H26N5OS+ MolecularWeight: 372.50764

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=C[NH+]=C(C=C2)N3CCSCC3)CN4C=CN=C4

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=C[NH+]=C(C=C2)N3CCSCC3)CN4C=CN=C4

InChI

InChI=1S/C19H25N5OS/c25-19(17-3-4-18(21-12-17)23-8-10-26-11-9-23)24-6-1-2-16(14-24)13-22-7-5-20-15-22/h3-5,7,12,15-16H,1-2,6,8-11,13-14H2/p+1/t16-/m1/s1