N-[(2R)-2-[4-[(4-phenylpiperidin-1-ium-1-yl)methyl]phenoxy]propyl]-1,3-thiazole-5-carboxamide

Systemtic Name: N-[(2R)-2-[4-[(4-phenylpiperidin-1-ium-1-yl)methyl]phenoxy]propyl]-1,3-thiazole-5-carboxamide Openeye Name: N-[(2R)-2-[4-[(4-phenylpiperidin-1-ium-1-yl)methyl]phenoxy]propyl]thiazole-5-carboxamide CAS Name: N-[(2R)-2-[4-[(4-phenyl-1-piperidin-1-iumyl)methyl]phenoxy]propyl]-5-thiazolecarboxamide IUPAC Name: N-[(2R)-2-[4-[(4-phenylpiperidin-1-ium-1-yl)methyl]phenoxy]propyl]-1,3-thiazole-5-carboxamide Traditional Name: N-[(2R)-2-[4-[(4-phenylpiperidin-1-ium-1-yl)methyl]phenoxy]propyl]thiazole-5-carboxamide Formula: C25H30N3O2S+ MolecularWeight: 436.5896

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C1=CN=CS1)OC2=CC=C(C=C2)C[NH+]3CCC(CC3)C4=CC=CC=C4

Isomeric SMILES

C[C@H](CNC(=O)C1=CN=CS1)OC2=CC=C(C=C2)C[NH+]3CCC(CC3)C4=CC=CC=C4

InChI

InChI=1S/C25H29N3O2S/c1-19(15-27-25(29)24-16-26-18-31-24)30-23-9-7-20(8-10-23)17-28-13-11-22(12-14-28)21-5-3-2-4-6-21/h2-10,16,18-19,22H,11-15,17H2,1H3,(H,27,29)/p+1/t19-/m1/s1