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

Systemtic Name: 1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide Openeye Name: 4-piperidin-1-ium-1-yl-1-[4-(p-tolyl)thiazol-2-yl]piperidine-4-carboxamide CAS Name: 1-[4-(4-methylphenyl)-2-thiazolyl]-4-(1-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide Traditional Name: 4-piperidin-1-ium-1-yl-1-[4-(p-tolyl)thiazol-2-yl]isonipecotamide Formula: C21H29N4OS+ MolecularWeight: 385.54616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=N2)N3CCC(CC3)(C(=O)N)[NH+]4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=N2)N3CCC(CC3)(C(=O)N)[NH+]4CCCCC4

InChI

InChI=1S/C21H28N4OS/c1-16-5-7-17(8-6-16)18-15-27-20(23-18)24-13-9-21(10-14-24,19(22)26)25-11-3-2-4-12-25/h5-8,15H,2-4,9-14H2,1H3,(H2,22,26)/p+1