N-(furan-2-ylmethyl)-4-phenethyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(furan-2-ylmethyl)-4-phenethyl-piperazin-4-ium-1-carbothioamide Openeye Name: N-(2-furylmethyl)-4-phenethyl-piperazin-4-ium-1-carbothioamide CAS Name: N-(2-furanylmethyl)-4-phenethyl-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(furan-2-ylmethyl)-4-phenethylpiperazin-4-ium-1-carbothioamide Traditional Name: N-(2-furfuryl)-4-phenethyl-piperazin-4-ium-1-carbothioamide Formula: C18H24N3OS+ MolecularWeight: 330.46766

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CC=C2)C(=S)NCC3=CC=CO3

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CC=C2)C(=S)NCC3=CC=CO3

InChI

InChI=1S/C18H23N3OS/c23-18(19-15-17-7-4-14-22-17)21-12-10-20(11-13-21)9-8-16-5-2-1-3-6-16/h1-7,14H,8-13,15H2,(H,19,23)/p+1