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

Systemtic Name: 1-[[2-[(3,4-dimethylphenyl)amino]-1,3-thiazol-4-yl]methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[[2-(3,4-dimethylanilino)thiazol-4-yl]methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[[2-(3,4-dimethylanilino)-4-thiazolyl]methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[[2-(3,4-dimethylanilino)-1,3-thiazol-4-yl]methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[[2-(3,4-dimethylanilino)thiazol-4-yl]methyl]piperidin-1-ium-4-carboxamide Formula: C18H25N4OS+ MolecularWeight: 345.4823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC(=CS2)C[NH+]3CCC(CC3)C(=O)N)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC(=CS2)C[NH+]3CCC(CC3)C(=O)N)C

InChI

InChI=1S/C18H24N4OS/c1-12-3-4-15(9-13(12)2)20-18-21-16(11-24-18)10-22-7-5-14(6-8-22)17(19)23/h3-4,9,11,14H,5-8,10H2,1-2H3,(H2,19,23)(H,20,21)/p+1