4-[(3-chlorophenyl)methyl]-N-(3-morpholin-4-ium-4-ylpropyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[(3-chlorophenyl)methyl]-N-(3-morpholin-4-ium-4-ylpropyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(3-chlorophenyl)methyl]-N-(3-morpholin-4-ium-4-ylpropyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-[(3-chlorophenyl)methyl]-N-[3-(4-morpholin-4-iumyl)propyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(3-chlorophenyl)methyl]-N-(3-morpholin-4-ium-4-ylpropyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-(3-chlorobenzyl)-N-(3-morpholin-4-ium-4-ylpropyl)piperazin-4-ium-1-carbothioamide Formula: C19H31ClN4OS+2 MolecularWeight: 398.99364

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)Cl)C(=S)NCCC[NH+]3CCOCC3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)Cl)C(=S)NCCC[NH+]3CCOCC3

InChI

InChI=1S/C19H29ClN4OS/c20-18-4-1-3-17(15-18)16-23-7-9-24(10-8-23)19(26)21-5-2-6-22-11-13-25-14-12-22/h1,3-4,15H,2,5-14,16H2,(H,21,26)/p+2