N-(furan-2-ylmethyl)-4-[(3-methylphenyl)methyl]piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(furan-2-ylmethyl)-4-[(3-methylphenyl)methyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-(2-furylmethyl)-4-(m-tolylmethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-(2-furanylmethyl)-4-[(3-methylphenyl)methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(furan-2-ylmethyl)-4-[(3-methylphenyl)methyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-(2-furfuryl)-4-(3-methylbenzyl)piperazin-4-ium-1-carbothioamide Formula: C18H24N3OS+ MolecularWeight: 330.46766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=S)NCC3=CC=CO3

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=S)NCC3=CC=CO3

InChI

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