4-[4-(phenylmethyl)piperazin-1-ium-1-yl]butanethioamide

Systemtic Name: 4-[4-(phenylmethyl)piperazin-1-ium-1-yl]butanethioamide Openeye Name: 4-(4-benzylpiperazin-1-ium-1-yl)butanethioamide CAS Name: 4-[4-(phenylmethyl)-1-piperazin-1-iumyl]butanethioamide IUPAC Name: 4-(4-benzylpiperazin-1-ium-1-yl)butanethioamide Traditional Name: 4-(4-benzylpiperazin-1-ium-1-yl)thiobutyramide Formula: C15H24N3S+ MolecularWeight: 278.43616

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCC(=S)N)CC2=CC=CC=C2

Isomeric SMILES

C1CN(CC[NH+]1CCCC(=S)N)CC2=CC=CC=C2

InChI

InChI=1S/C15H23N3S/c16-15(19)7-4-8-17-9-11-18(12-10-17)13-14-5-2-1-3-6-14/h1-3,5-6H,4,7-13H2,(H2,16,19)/p+1