4-[(2S)-4-methyl-2-phenyl-piperazine-1,4-diium-1-yl]butanethioamide

Systemtic Name: 4-[(2S)-4-methyl-2-phenyl-piperazine-1,4-diium-1-yl]butanethioamide Openeye Name: 4-[(2S)-4-methyl-2-phenyl-piperazine-1,4-diium-1-yl]butanethioamide CAS Name: 4-[(2S)-4-methyl-2-phenyl-1-piperazine-1,4-diiumyl]butanethioamide IUPAC Name: 4-[(2S)-4-methyl-2-phenylpiperazine-1,4-diium-1-yl]butanethioamide Traditional Name: 4-[(2S)-4-methyl-2-phenyl-piperazine-1,4-diium-1-yl]thiobutyramide Formula: C15H25N3S+2 MolecularWeight: 279.4441

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](C(C1)C2=CC=CC=C2)CCCC(=S)N

Isomeric SMILES

C[NH+]1CC[NH+]([C@H](C1)C2=CC=CC=C2)CCCC(=S)N

InChI

InChI=1S/C15H23N3S/c1-17-10-11-18(9-5-8-15(16)19)14(12-17)13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3,(H2,16,19)/p+2/t14-/m1/s1