4-(2-phenoxyethyl)-N-(phenylmethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-(2-phenoxyethyl)-N-(phenylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-benzyl-4-(2-phenoxyethyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-(2-phenoxyethyl)-N-(phenylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: N-benzyl-4-(2-phenoxyethyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-benzyl-4-(2-phenoxyethyl)piperazin-4-ium-1-carbothioamide Formula: C20H26N3OS+ MolecularWeight: 356.50494

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=S)NCC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C20H25N3OS/c25-20(21-17-18-7-3-1-4-8-18)23-13-11-22(12-14-23)15-16-24-19-9-5-2-6-10-19/h1-10H,11-17H2,(H,21,25)/p+1