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

Systemtic Name: N-(furan-2-ylmethyl)-4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-(2-furylmethyl)-4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-carbothioamide CAS Name: N-(2-furanylmethyl)-4-[(3-methoxyphenyl)methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(furan-2-ylmethyl)-4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-(2-furfuryl)-4-m-anisyl-piperazin-4-ium-1-carbothioamide Formula: C18H24N3O2S+ MolecularWeight: 346.46706

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C[NH+]2CCN(CC2)C(=S)NCC3=CC=CO3

Isomeric SMILES

COC1=CC=CC(=C1)C[NH+]2CCN(CC2)C(=S)NCC3=CC=CO3

InChI

InChI=1S/C18H23N3O2S/c1-22-16-5-2-4-15(12-16)14-20-7-9-21(10-8-20)18(24)19-13-17-6-3-11-23-17/h2-6,11-12H,7-10,13-14H2,1H3,(H,19,24)/p+1