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

Systemtic Name: 2-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-4-methyl-thiazole-5-carboxamide CAS Name: 2-(3,4-dimethoxyphenyl)-4-methyl-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-5-thiazolecarboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(3,4-dimethoxyphenyl)-4-methyl-thiazole-5-carboxamide Formula: C25H30N3O3S+ MolecularWeight: 452.589

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O3S/c1-17-23(32-25(26-17)19-9-10-21(30-2)22(15-19)31-3)24(29)27-20-11-13-28(14-12-20)16-18-7-5-4-6-8-18/h4-10,15,20H,11-14,16H2,1-3H3,(H,27,29)/p+1