4-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]butanethioamide

Systemtic Name: 4-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]butanethioamide Openeye Name: 4-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]butanethioamide CAS Name: 4-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]butanethioamide IUPAC Name: 4-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]butanethioamide Traditional Name: 4-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]thiobutyramide Formula: C14H21ClN3S+ MolecularWeight: 298.85464

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCC(=S)N)C2=CC(=CC=C2)Cl

Isomeric SMILES

C1CN(CC[NH+]1CCCC(=S)N)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C14H20ClN3S/c15-12-3-1-4-13(11-12)18-9-7-17(8-10-18)6-2-5-14(16)19/h1,3-4,11H,2,5-10H2,(H2,16,19)/p+1