2-[[(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methyl]-4-phenyl-1,3-thiazole

Systemtic Name: 2-[[(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methyl]-4-phenyl-1,3-thiazole Openeye Name: 2-[[(3S)-3-[4-(o-tolyl)piperazin-1-ium-1-yl]-1-piperidyl]methyl]-4-phenyl-thiazole CAS Name: 2-[[(3S)-3-[4-(2-methylphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]methyl]-4-phenylthiazole IUPAC Name: 2-[[(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methyl]-4-phenyl-1,3-thiazole Traditional Name: 2-[[(3S)-3-[4-(o-tolyl)piperazin-1-ium-1-yl]piperidino]methyl]-4-phenyl-thiazole Formula: C26H33N4S+ MolecularWeight: 433.63202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)C3CCCN(C3)CC4=NC(=CS4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)[C@H]3CCCN(C3)CC4=NC(=CS4)C5=CC=CC=C5

InChI

InChI=1S/C26H32N4S/c1-21-8-5-6-12-25(21)30-16-14-29(15-17-30)23-11-7-13-28(18-23)19-26-27-24(20-31-26)22-9-3-2-4-10-22/h2-6,8-10,12,20,23H,7,11,13-19H2,1H3/p+1/t23-/m0/s1