4-azanylidene-3-(methylsulfanylmethyl)piperazin-4-ium-1-carbaldehyde

Systemtic Name: 4-azanylidene-3-(methylsulfanylmethyl)piperazin-4-ium-1-carbaldehyde Openeye Name: 4-imino-3-(methylsulfanylmethyl)piperazin-4-ium-1-carbaldehyde CAS Name: 4-imino-3-[(methylthio)methyl]-1-piperazin-4-iumcarboxaldehyde IUPAC Name: 4-imino-3-(methylsulfanylmethyl)piperazin-4-ium-1-carbaldehyde Traditional Name: 4-imino-3-[(methylthio)methyl]piperazin-4-ium-1-carbaldehyde Formula: C7H14N3OS+ MolecularWeight: 188.27056

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1CN(CC[N+]1=N)C=O

Isomeric SMILES

CSCC1CN(CC[N+]1=N)C=O

InChI

InChI=1S/C7H14N3OS/c1-12-5-7-4-9(6-11)2-3-10(7)8/h6-8H,2-5H2,1H3/q+1