N-(3-methoxyphenyl)-4-(phenylmethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(3-methoxyphenyl)-4-(phenylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-benzyl-N-(3-methoxyphenyl)piperazin-4-ium-1-carbothioamide CAS Name: N-(3-methoxyphenyl)-4-(phenylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-benzyl-N-(3-methoxyphenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-benzyl-N-(3-methoxyphenyl)piperazin-4-ium-1-carbothioamide Formula: C19H24N3OS+ MolecularWeight: 342.47836

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C19H23N3OS/c1-23-18-9-5-8-17(14-18)20-19(24)22-12-10-21(11-13-22)15-16-6-3-2-4-7-16/h2-9,14H,10-13,15H2,1H3,(H,20,24)/p+1