4-methyl-2-[(4-methylphenoxy)methyl]-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-1,3-thiazole-5-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC2=NC(=C(S2)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)OCC2=NC(=C(S2)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C25H29N3O2S/c1-18-8-10-22(11-9-18)30-17-23-26-19(2)24(31-23)25(29)27-21-12-14-28(15-13-21)16-20-6-4-3-5-7-20/h3-11,21H,12-17H2,1-2H3,(H,27,29)/p+1