1-(1,3-dithiol-2-ylidene)-4-(phenylmethyl)piperazin-1-ium

Systemtic Name: 1-(1,3-dithiol-2-ylidene)-4-(phenylmethyl)piperazin-1-ium Openeye Name: 1-benzyl-4-(1,3-dithiol-2-ylidene)piperazin-4-ium CAS Name: 1-(1,3-dithiol-2-ylidene)-4-(phenylmethyl)piperazin-1-ium IUPAC Name: 1-benzyl-4-(1,3-dithiol-2-ylidene)piperazin-4-ium Traditional Name: 1-benzyl-4-(1,3-dithiol-2-ylidene)piperazin-4-ium Formula: C14H17N2S2+ MolecularWeight: 277.42818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](=C2SC=CS2)CCN1CC3=CC=CC=C3

Isomeric SMILES

C1C[N+](=C2SC=CS2)CCN1CC3=CC=CC=C3

InChI

InChI=1S/C14H17N2S2/c1-2-4-13(5-3-1)12-15-6-8-16(9-7-15)14-17-10-11-18-14/h1-5,10-11H,6-9,12H2/q+1