4-(furan-2-ylmethyl)-N-[(4-methylphenyl)methyl]piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-(furan-2-ylmethyl)-N-[(4-methylphenyl)methyl]piperazin-4-ium-1-carbothioamide Openeye Name: 4-(2-furylmethyl)-N-(p-tolylmethyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-(2-furanylmethyl)-N-[(4-methylphenyl)methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-(furan-2-ylmethyl)-N-[(4-methylphenyl)methyl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-(2-furfuryl)-N-(4-methylbenzyl)piperazin-4-ium-1-carbothioamide Formula: C18H24N3OS+ MolecularWeight: 330.46766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=S)N2CC[NH+](CC2)CC3=CC=CO3

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=S)N2CC[NH+](CC2)CC3=CC=CO3

InChI

InChI=1S/C18H23N3OS/c1-15-4-6-16(7-5-15)13-19-18(23)21-10-8-20(9-11-21)14-17-3-2-12-22-17/h2-7,12H,8-11,13-14H2,1H3,(H,19,23)/p+1