4-(naphthalen-1-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-(naphthalen-1-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-carbothioamide Openeye Name: 4-(1-naphthylmethyl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]piperazin-4-ium-1-carbothioamide CAS Name: 4-(1-naphthalenylmethyl)-N-[[(2R)-2-oxolanyl]methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-(naphthalen-1-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-(1-naphthylmethyl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]piperazin-4-ium-1-carbothioamide Formula: C21H28N3OS+ MolecularWeight: 370.53152

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=S)N2CC[NH+](CC2)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1C[C@@H](OC1)CNC(=S)N2CC[NH+](CC2)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C21H27N3OS/c26-21(22-15-19-8-4-14-25-19)24-12-10-23(11-13-24)16-18-7-3-6-17-5-1-2-9-20(17)18/h1-3,5-7,9,19H,4,8,10-16H2,(H,22,26)/p+1/t19-/m1/s1