2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-4-(3-methylphenyl)-1,3-thiazole

Systemtic Name: 2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-4-(3-methylphenyl)-1,3-thiazole Openeye Name: 2-(4-benzhydrylpiperazin-4-ium-1-yl)-4-(m-tolyl)thiazole CAS Name: 2-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-4-(3-methylphenyl)thiazole IUPAC Name: 2-(4-benzhydrylpiperazin-4-ium-1-yl)-4-(3-methylphenyl)-1,3-thiazole Traditional Name: 2-(4-benzhydrylpiperazin-4-ium-1-yl)-4-(m-tolyl)thiazole Formula: C27H28N3S+ MolecularWeight: 426.59632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=CSC(=N2)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC(=C1)C2=CSC(=N2)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H27N3S/c1-21-9-8-14-24(19-21)25-20-31-27(28-25)30-17-15-29(16-18-30)26(22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-14,19-20,26H,15-18H2,1H3/p+1