N-(2-morpholin-4-ium-4-ylethyl)-4-(phenylmethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(2-morpholin-4-ium-4-ylethyl)-4-(phenylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-benzyl-N-(2-morpholin-4-ium-4-ylethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-[2-(4-morpholin-4-iumyl)ethyl]-4-(phenylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-benzyl-N-(2-morpholin-4-ium-4-ylethyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-benzyl-N-(2-morpholin-4-ium-4-ylethyl)piperazin-4-ium-1-carbothioamide Formula: C18H30N4OS+2 MolecularWeight: 350.522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4OS/c24-18(19-6-7-20-12-14-23-15-13-20)22-10-8-21(9-11-22)16-17-4-2-1-3-5-17/h1-5H,6-16H2,(H,19,24)/p+2