(5S)-5-(bromomethyl)-2-[4-(diphenylmethyl)piperazin-1-ium-1-ylidene]-5-methyl-1,3-thiazolidine

Systemtic Name: (5S)-5-(bromomethyl)-2-[4-(diphenylmethyl)piperazin-1-ium-1-ylidene]-5-methyl-1,3-thiazolidine Openeye Name: (5S)-2-(4-benzhydrylpiperazin-1-ium-1-ylidene)-5-(bromomethyl)-5-methyl-thiazolidine CAS Name: (5S)-5-(bromomethyl)-2-[4-(diphenylmethyl)-1-piperazin-1-iumylidene]-5-methylthiazolidine IUPAC Name: (5S)-2-(4-benzhydrylpiperazin-1-ium-1-ylidene)-5-(bromomethyl)-5-methyl-1,3-thiazolidine Traditional Name: (5S)-2-(4-benzhydrylpiperazin-1-ium-1-ylidene)-5-(bromomethyl)-5-methyl-thiazolidine Formula: C22H27BrN3S+ MolecularWeight: 445.43888

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CNC(=[N+]2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)S1)CBr

Isomeric SMILES

C[C@]1(CNC(=[N+]2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)S1)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