4-(3-chlorophenyl)-N-(3-morpholin-4-ium-4-ylpropyl)piperazine-1-carbothioamide

Systemtic Name: 4-(3-chlorophenyl)-N-(3-morpholin-4-ium-4-ylpropyl)piperazine-1-carbothioamide Openeye Name: 4-(3-chlorophenyl)-N-(3-morpholin-4-ium-4-ylpropyl)piperazine-1-carbothioamide CAS Name: 4-(3-chlorophenyl)-N-[3-(4-morpholin-4-iumyl)propyl]-1-piperazinecarbothioamide IUPAC Name: 4-(3-chlorophenyl)-N-(3-morpholin-4-ium-4-ylpropyl)piperazine-1-carbothioamide Traditional Name: 4-(3-chlorophenyl)-N-(3-morpholin-4-ium-4-ylpropyl)piperazine-1-carbothioamide Formula: C18H28ClN4OS+ MolecularWeight: 383.95912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=S)N2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

C1COCC[NH+]1CCCNC(=S)N2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H27ClN4OS/c19-16-3-1-4-17(15-16)22-7-9-23(10-8-22)18(25)20-5-2-6-21-11-13-24-14-12-21/h1,3-4,15H,2,5-14H2,(H,20,25)/p+1