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

Systemtic Name: 2-[4-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone Openeye Name: 1-(1-piperidyl)-2-[4-[[2-(p-tolyl)thiazol-4-yl]methyl]piperazin-1-ium-1-yl]ethanone CAS Name: 2-[4-[[2-(4-methylphenyl)-4-thiazolyl]methyl]-1-piperazin-1-iumyl]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[4-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-ium-1-yl]-1-piperidin-1-ylethanone Traditional Name: 1-piperidino-2-[4-[[2-(p-tolyl)thiazol-4-yl]methyl]piperazin-1-ium-1-yl]ethanone Formula: C22H31N4OS+ MolecularWeight: 399.57274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=CS2)CN3CC[NH+](CC3)CC(=O)N4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=CS2)CN3CC[NH+](CC3)CC(=O)N4CCCCC4

InChI

InChI=1S/C22H30N4OS/c1-18-5-7-19(8-6-18)22-23-20(17-28-22)15-24-11-13-25(14-12-24)16-21(27)26-9-3-2-4-10-26/h5-8,17H,2-4,9-16H2,1H3/p+1