4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-N-phenethyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-N-phenethyl-piperazin-4-ium-1-carbothioamide Openeye Name: 4-(2-oxo-2-pyrrolidin-1-yl-ethyl)-N-phenethyl-piperazin-4-ium-1-carbothioamide CAS Name: 4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-N-phenethyl-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-(2-oxo-2-pyrrolidin-1-ylethyl)-N-phenethylpiperazin-4-ium-1-carbothioamide Traditional Name: 4-(2-keto-2-pyrrolidino-ethyl)-N-phenethyl-piperazin-4-ium-1-carbothioamide Formula: C19H29N4OS+ MolecularWeight: 361.52476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=S)NCCC3=CC=CC=C3

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C19H28N4OS/c24-18(22-10-4-5-11-22)16-21-12-14-23(15-13-21)19(25)20-9-8-17-6-2-1-3-7-17/h1-3,6-7H,4-5,8-16H2,(H,20,25)/p+1