4-(phenylmethyl)piperidine-1-carbodithioate; tricyclohexylstannanylium

Systemtic Name: 4-(phenylmethyl)piperidine-1-carbodithioate; tricyclohexylstannanylium Openeye Name: 4-benzylpiperidine-1-carbodithioate; tricyclohexylstannanylium CAS Name: 4-(phenylmethyl)-1-piperidinecarbodithioate; tricyclohexylstannanylium IUPAC Name: 4-benzylpiperidine-1-carbodithioate; tricyclohexylstannanylium Traditional Name: 4-benzylpiperidine-1-carbodithioate; tricyclohexylstannanylium Formula: C31H49NS2Sn MolecularWeight: 618.56746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[Sn+](C2CCCCC2)C3CCCCC3.C1CN(CCC1CC2=CC=CC=C2)C(=S)[S-]

Isomeric SMILES

C1CCC(CC1)[Sn+](C2CCCCC2)C3CCCCC3.C1CN(CCC1CC2=CC=CC=C2)C(=S)[S-]

InChI

InChI=1S/C13H17NS2.3C6H11.Sn/c15-13(16)14-8-6-12(7-9-14)10-11-4-2-1-3-5-11;3*1-2-4-6-5-3-1;/h1-5,12H,6-10H2,(H,15,16);3*1H,2-6H2;/q;;;;+1/p-1