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

Systemtic Name: (3R)-1-[[2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[[2-(4-methylanilino)thiazol-4-yl]methyl]piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[[2-(4-methylanilino)-4-thiazolyl]methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[[2-(p-toluidino)thiazol-4-yl]methyl]piperidin-1-ium-3-carboxamide Formula: C17H23N4OS+ MolecularWeight: 331.45572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=CS2)C[NH+]3CCCC(C3)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=CS2)C[NH+]3CCC[C@H](C3)C(=O)N

InChI

InChI=1S/C17H22N4OS/c1-12-4-6-14(7-5-12)19-17-20-15(11-23-17)10-21-8-2-3-13(9-21)16(18)22/h4-7,11,13H,2-3,8-10H2,1H3,(H2,18,22)(H,19,20)/p+1/t13-/m1/s1