2-(3,4-dimethoxyphenyl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-1,3-thiazole-4-carboxamide

Systemtic Name: 2-(3,4-dimethoxyphenyl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-1,3-thiazole-4-carboxamide Openeye Name: 2-(3,4-dimethoxyphenyl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]thiazole-4-carboxamide CAS Name: 2-(3,4-dimethoxyphenyl)-N-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]-4-thiazolecarboxamide IUPAC Name: 2-(3,4-dimethoxyphenyl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-1,3-thiazole-4-carboxamide Traditional Name: 2-(3,4-dimethoxyphenyl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]thiazole-4-carboxamide Formula: C21H30N3O3S+ MolecularWeight: 404.5462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC(=O)C2=CSC(=N2)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCNC(=O)C2=CSC(=N2)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H29N3O3S/c1-15-7-4-5-11-24(15)12-6-10-22-20(25)17-14-28-21(23-17)16-8-9-18(26-2)19(13-16)27-3/h8-9,13-15H,4-7,10-12H2,1-3H3,(H,22,25)/p+1/t15-/m0/s1