4-[(4-chlorophenyl)methyl]-N-prop-2-enyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[(4-chlorophenyl)methyl]-N-prop-2-enyl-piperazin-4-ium-1-carbothioamide Openeye Name: N-allyl-4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-carbothioamide CAS Name: 4-[(4-chlorophenyl)methyl]-N-prop-2-enyl-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(4-chlorophenyl)methyl]-N-prop-2-enylpiperazin-4-ium-1-carbothioamide Traditional Name: N-allyl-4-(4-chlorobenzyl)piperazin-4-ium-1-carbothioamide Formula: C15H21ClN3S+ MolecularWeight: 310.86534

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)N1CC[NH+](CC1)CC2=CC=C(C=C2)Cl

Isomeric SMILES

C=CCNC(=S)N1CC[NH+](CC1)CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C15H20ClN3S/c1-2-7-17-15(20)19-10-8-18(9-11-19)12-13-3-5-14(16)6-4-13/h2-6H,1,7-12H2,(H,17,20)/p+1