4-(diphenylmethyl)-N-(3-ethoxypropyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-(diphenylmethyl)-N-(3-ethoxypropyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-benzhydryl-N-(3-ethoxypropyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-(diphenylmethyl)-N-(3-ethoxypropyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-benzhydryl-N-(3-ethoxypropyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-benzhydryl-N-(3-ethoxypropyl)piperazin-4-ium-1-carbothioamide Formula: C23H32N3OS+ MolecularWeight: 398.58468

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=S)N1CC[NH+](CC1)C(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCOCCCNC(=S)N1CC[NH+](CC1)C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C23H31N3OS/c1-2-27-19-9-14-24-23(28)26-17-15-25(16-18-26)22(20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-8,10-13,22H,2,9,14-19H2,1H3,(H,24,28)/p+1