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

Systemtic Name: 1-[[2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[[2-(4-methylanilino)thiazol-4-yl]methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[[2-(4-methylanilino)-4-thiazolyl]methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[[2-(p-toluidino)thiazol-4-yl]methyl]piperidin-1-ium-4-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+]3CCC(CC3)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4OS/c1-12-2-4-14(5-3-12)19-17-20-15(11-23-17)10-21-8-6-13(7-9-21)16(18)22/h2-5,11,13H,6-10H2,1H3,(H2,18,22)(H,19,20)/p+1