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

Systemtic Name: 4-(4-methoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)piperazine-1-carbothioamide Openeye Name: 4-(4-methoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)piperazine-1-carbothioamide CAS Name: 4-(4-methoxyphenyl)-N-[3-(4-morpholin-4-iumyl)propyl]-1-piperazinecarbothioamide IUPAC Name: 4-(4-methoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)piperazine-1-carbothioamide Traditional Name: 4-(4-methoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)piperazine-1-carbothioamide Formula: C19H31N4O2S+ MolecularWeight: 379.54004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=S)NCCC[NH+]3CCOCC3

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=S)NCCC[NH+]3CCOCC3

InChI

InChI=1S/C19H30N4O2S/c1-24-18-5-3-17(4-6-18)22-9-11-23(12-10-22)19(26)20-7-2-8-21-13-15-25-16-14-21/h3-6H,2,7-16H2,1H3,(H,20,26)/p+1