(4-bromophenyl)-[4-(diphenylmethyl)piperazin-4-ium-1-yl]methanethione

Systemtic Name: (4-bromophenyl)-[4-(diphenylmethyl)piperazin-4-ium-1-yl]methanethione Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(4-bromophenyl)methanethione CAS Name: (4-bromophenyl)-[4-(diphenylmethyl)-1-piperazin-4-iumyl]methanethione IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(4-bromophenyl)methanethione Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(4-bromophenyl)methanethione Formula: C24H24BrN2S+ MolecularWeight: 452.42976

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=S)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=S)C4=CC=C(C=C4)Br

InChI

InChI=1S/C24H23BrN2S/c25-22-13-11-21(12-14-22)24(28)27-17-15-26(16-18-27)23(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,23H,15-18H2/p+1