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

Systemtic Name: N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide Openeye Name: N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-yl]-2,4-dimethyl-thiazole-5-carboxamide CAS Name: N-[(3S)-1-[(3-methoxyphenyl)methyl]-3-piperidin-1-iumyl]-2,4-dimethyl-5-thiazolecarboxamide IUPAC Name: N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide Traditional Name: N-[(3S)-1-m-anisylpiperidin-1-ium-3-yl]-2,4-dimethyl-thiazole-5-carboxamide Formula: C19H26N3O2S+ MolecularWeight: 360.49364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C)C(=O)NC2CCC[NH+](C2)CC3=CC(=CC=C3)OC

Isomeric SMILES

CC1=C(SC(=N1)C)C(=O)N[C@H]2CCC[NH+](C2)CC3=CC(=CC=C3)OC

InChI

InChI=1S/C19H25N3O2S/c1-13-18(25-14(2)20-13)19(23)21-16-7-5-9-22(12-16)11-15-6-4-8-17(10-15)24-3/h4,6,8,10,16H,5,7,9,11-12H2,1-3H3,(H,21,23)/p+1/t16-/m0/s1