N-[(2R)-2-[3-(morpholin-4-ium-4-ylmethyl)phenoxy]propyl]-1,3-thiazole-5-carboxamide

Systemtic Name: N-[(2R)-2-[3-(morpholin-4-ium-4-ylmethyl)phenoxy]propyl]-1,3-thiazole-5-carboxamide Openeye Name: N-[(2R)-2-[3-(morpholin-4-ium-4-ylmethyl)phenoxy]propyl]thiazole-5-carboxamide CAS Name: N-[(2R)-2-[3-(4-morpholin-4-iumylmethyl)phenoxy]propyl]-5-thiazolecarboxamide IUPAC Name: N-[(2R)-2-[3-(morpholin-4-ium-4-ylmethyl)phenoxy]propyl]-1,3-thiazole-5-carboxamide Traditional Name: N-[(2R)-2-[3-(morpholin-4-ium-4-ylmethyl)phenoxy]propyl]thiazole-5-carboxamide Formula: C18H24N3O3S+ MolecularWeight: 362.46646

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C1=CN=CS1)OC2=CC=CC(=C2)C[NH+]3CCOCC3

Isomeric SMILES

C[C@H](CNC(=O)C1=CN=CS1)OC2=CC=CC(=C2)C[NH+]3CCOCC3

InChI

InChI=1S/C18H23N3O3S/c1-14(10-20-18(22)17-11-19-13-25-17)24-16-4-2-3-15(9-16)12-21-5-7-23-8-6-21/h2-4,9,11,13-14H,5-8,10,12H2,1H3,(H,20,22)/p+1/t14-/m1/s1