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

Systemtic Name: 2-(2,3-dimethoxyphenyl)-4-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-1,3-thiazole Openeye Name: 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-2-(2,3-dimethoxyphenyl)thiazole CAS Name: 2-(2,3-dimethoxyphenyl)-4-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]thiazole IUPAC Name: 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole Traditional Name: 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-2-(2,3-dimethoxyphenyl)thiazole Formula: C24H29N2O2S+ MolecularWeight: 409.56426

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C2=NC(=CS2)C[NH+]3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1OC)C2=NC(=CS2)C[NH+]3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H28N2O2S/c1-27-22-10-6-9-21(23(22)28-2)24-25-20(17-29-24)16-26-13-11-19(12-14-26)15-18-7-4-3-5-8-18/h3-10,17,19H,11-16H2,1-2H3/p+1