[5-(2-chlorophenyl)furan-2-yl]-[4-(diphenylmethyl)piperazin-4-ium-1-yl]methanethione

Systemtic Name: [5-(2-chlorophenyl)furan-2-yl]-[4-(diphenylmethyl)piperazin-4-ium-1-yl]methanethione Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-[5-(2-chlorophenyl)-2-furyl]methanethione CAS Name: [5-(2-chlorophenyl)-2-furanyl]-[4-(diphenylmethyl)-1-piperazin-4-iumyl]methanethione IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-[5-(2-chlorophenyl)furan-2-yl]methanethione Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-[5-(2-chlorophenyl)-2-furyl]methanethione Formula: C28H26ClN2OS+ MolecularWeight: 474.03684

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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(O4)C5=CC=CC=C5Cl

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=S)C4=CC=C(O4)C5=CC=CC=C5Cl

InChI

InChI=1S/C28H25ClN2OS/c29-24-14-8-7-13-23(24)25-15-16-26(32-25)28(33)31-19-17-30(18-20-31)27(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-16,27H,17-20H2/p+1