4-[(4-cyanophenyl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[(4-cyanophenyl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(4-cyanophenyl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-[(4-cyanophenyl)methyl]-N-[2-(4-morpholin-4-iumyl)ethyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(4-cyanophenyl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-(4-cyanobenzyl)-N-(2-morpholin-4-ium-4-ylethyl)piperazin-4-ium-1-carbothioamide Formula: C19H29N5OS+2 MolecularWeight: 375.53146

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=S)NCC[NH+]3CCOCC3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=S)NCC[NH+]3CCOCC3

InChI

InChI=1S/C19H27N5OS/c20-15-17-1-3-18(4-2-17)16-23-7-9-24(10-8-23)19(26)21-5-6-22-11-13-25-14-12-22/h1-4H,5-14,16H2,(H,21,26)/p+2