N-[(4-chlorophenyl)methyl]-4-propyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-4-propyl-piperazin-4-ium-1-carbothioamide Openeye Name: N-[(4-chlorophenyl)methyl]-4-propyl-piperazin-4-ium-1-carbothioamide CAS Name: N-[(4-chlorophenyl)methyl]-4-propyl-1-piperazin-4-iumcarbothioamide IUPAC Name: N-[(4-chlorophenyl)methyl]-4-propylpiperazin-4-ium-1-carbothioamide Traditional Name: N-(4-chlorobenzyl)-4-propyl-piperazin-4-ium-1-carbothioamide Formula: C15H23ClN3S+ MolecularWeight: 312.88122

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)C(=S)NCC2=CC=C(C=C2)Cl

Isomeric SMILES

CCC[NH+]1CCN(CC1)C(=S)NCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C15H22ClN3S/c1-2-7-18-8-10-19(11-9-18)15(20)17-12-13-3-5-14(16)6-4-13/h3-6H,2,7-12H2,1H3,(H,17,20)/p+1