(4-chlorophenyl)-(4-ethylpiperazin-4-ium-1-yl)methanethione

Systemtic Name: (4-chlorophenyl)-(4-ethylpiperazin-4-ium-1-yl)methanethione Openeye Name: (4-chlorophenyl)-(4-ethylpiperazin-4-ium-1-yl)methanethione CAS Name: (4-chlorophenyl)-(4-ethyl-1-piperazin-4-iumyl)methanethione IUPAC Name: (4-chlorophenyl)-(4-ethylpiperazin-4-ium-1-yl)methanethione Traditional Name: (4-chlorophenyl)-(4-ethylpiperazin-4-ium-1-yl)methanethione Formula: C13H18ClN2S+ MolecularWeight: 269.81342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17ClN2S/c1-2-15-7-9-16(10-8-15)13(17)11-3-5-12(14)6-4-11/h3-6H,2,7-10H2,1H3/p+1