N-(3-morpholin-4-ium-4-ylpropyl)-4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(3-morpholin-4-ium-4-ylpropyl)-4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-(3-morpholin-4-ium-4-ylpropyl)-4-(1-naphthylmethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-[3-(4-morpholin-4-iumyl)propyl]-4-(1-naphthalenylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(3-morpholin-4-ium-4-ylpropyl)-4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-(3-morpholin-4-ium-4-ylpropyl)-4-(1-naphthylmethyl)piperazin-4-ium-1-carbothioamide Formula: C23H34N4OS+2 MolecularWeight: 414.60726

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)C(=S)NCCC[NH+]4CCOCC4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)C(=S)NCCC[NH+]4CCOCC4

InChI

InChI=1S/C23H32N4OS/c29-23(24-9-4-10-25-15-17-28-18-16-25)27-13-11-26(12-14-27)19-21-7-3-6-20-5-1-2-8-22(20)21/h1-3,5-8H,4,9-19H2,(H,24,29)/p+2