4-(diphenylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-(diphenylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]piperazin-4-ium-1-carbothioamide Openeye Name: 4-benzhydryl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]piperazin-4-ium-1-carbothioamide CAS Name: 4-(diphenylmethyl)-N-[[(2S)-2-oxolanyl]methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-benzhydryl-N-[[(2S)-oxolan-2-yl]methyl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-benzhydryl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]piperazin-4-ium-1-carbothioamide Formula: C23H30N3OS+ MolecularWeight: 396.5688

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=S)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1C[C@H](OC1)CNC(=S)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H29N3OS/c28-23(24-18-21-12-7-17-27-21)26-15-13-25(14-16-26)22(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-6,8-11,21-22H,7,12-18H2,(H,24,28)/p+1/t21-/m0/s1