1-(phenylmethyl)piperazin-1-ium carbamodithioate

Systemtic Name: 1-(phenylmethyl)piperazin-1-ium carbamodithioate Openeye Name: 1-benzylpiperazin-1-ium carbamodithioate CAS Name: 1-(phenylmethyl)piperazin-1-ium carbamodithioate IUPAC Name: 1-benzylpiperazin-1-ium carbamodithioate Traditional Name: 1-benzylpiperazin-1-ium carbamodithioate Formula: C12H19N3S2 MolecularWeight: 269.42936

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN1)CC2=CC=CC=C2.C(=S)(N)[S-]

Isomeric SMILES

C1C[NH+](CCN1)CC2=CC=CC=C2.C(=S)(N)[S-]

InChI

InChI=1S/C11H16N2.CH3NS2/c1-2-4-11(5-3-1)10-13-8-6-12-7-9-13;2-1(3)4/h1-5,12H,6-10H2;(H3,2,3,4)