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

Systemtic Name: 2-(3-methoxyphenyl)-4-methyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-1,3-thiazole-5-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(3-methoxyphenyl)-4-methyl-thiazole-5-carboxamide CAS Name: 2-(3-methoxyphenyl)-4-methyl-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-5-thiazolecarboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(3-methoxyphenyl)-4-methyl-thiazole-5-carboxamide Formula: C24H28N3O2S+ MolecularWeight: 422.56302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC(=CC=C2)OC)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC(=N1)C2=CC(=CC=C2)OC)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H27N3O2S/c1-17-22(30-24(25-17)19-9-6-10-21(15-19)29-2)23(28)26-20-11-13-27(14-12-20)16-18-7-4-3-5-8-18/h3-10,15,20H,11-14,16H2,1-2H3,(H,26,28)/p+1