(3R)-1-[[2-[(4-methoxyphenyl)amino]-1,3-thiazol-4-yl]methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3R)-1-[[2-[(4-methoxyphenyl)amino]-1,3-thiazol-4-yl]methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[[2-(4-methoxyanilino)thiazol-4-yl]methyl]piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[[2-(4-methoxyanilino)-4-thiazolyl]methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[[2-(4-methoxyanilino)-1,3-thiazol-4-yl]methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[[2-(p-anisidino)thiazol-4-yl]methyl]piperidin-1-ium-3-carboxamide Formula: C17H23N4O2S+ MolecularWeight: 347.45512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=NC(=CS2)C[NH+]3CCCC(C3)C(=O)N

Isomeric SMILES

COC1=CC=C(C=C1)NC2=NC(=CS2)C[NH+]3CCC[C@H](C3)C(=O)N

InChI

InChI=1S/C17H22N4O2S/c1-23-15-6-4-13(5-7-15)19-17-20-14(11-24-17)10-21-8-2-3-12(9-21)16(18)22/h4-7,11-12H,2-3,8-10H2,1H3,(H2,18,22)(H,19,20)/p+1/t12-/m1/s1