(5S)-5-(bromomethyl)-2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-5-methyl-4H-1,3-thiazole

Systemtic Name: (5S)-5-(bromomethyl)-2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-5-methyl-4H-1,3-thiazole Openeye Name: (5S)-2-(4-benzhydrylpiperazin-4-ium-1-yl)-5-(bromomethyl)-5-methyl-4H-thiazole CAS Name: (5S)-5-(bromomethyl)-2-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-5-methyl-4H-thiazole IUPAC Name: (5S)-2-(4-benzhydrylpiperazin-4-ium-1-yl)-5-(bromomethyl)-5-methyl-4H-1,3-thiazole Traditional Name: (5S)-2-(4-benzhydrylpiperazin-4-ium-1-yl)-5-(bromomethyl)-5-methyl-2-thiazoline Formula: C22H27BrN3S+ MolecularWeight: 445.43888

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN=C(S1)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)CBr

Isomeric SMILES

C[C@]1(CN=C(S1)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)CBr

InChI

InChI=1S/C22H26BrN3S/c1-22(16-23)17-24-21(27-22)26-14-12-25(13-15-26)20(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,20H,12-17H2,1H3/p+1/t22-/m1/s1