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

Systemtic Name: [5-(4-chlorophenyl)furan-2-yl]-(4-methylpiperazin-4-ium-1-yl)methanethione Openeye Name: [5-(4-chlorophenyl)-2-furyl]-(4-methylpiperazin-4-ium-1-yl)methanethione CAS Name: [5-(4-chlorophenyl)-2-furanyl]-(4-methyl-1-piperazin-4-iumyl)methanethione IUPAC Name: [5-(4-chlorophenyl)furan-2-yl]-(4-methylpiperazin-4-ium-1-yl)methanethione Traditional Name: [5-(4-chlorophenyl)-2-furyl]-(4-methylpiperazin-4-ium-1-yl)methanethione Formula: C16H18ClN2OS+ MolecularWeight: 321.84492

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=S)C2=CC=C(O2)C3=CC=C(C=C3)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C(=S)C2=CC=C(O2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H17ClN2OS/c1-18-8-10-19(11-9-18)16(21)15-7-6-14(20-15)12-2-4-13(17)5-3-12/h2-7H,8-11H2,1H3/p+1