N-(3-ethanoylphenyl)-4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(3-ethanoylphenyl)-4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-(3-acetylphenyl)-4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-carbothioamide CAS Name: N-(3-acetylphenyl)-4-[(3-methoxyphenyl)methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(3-acetylphenyl)-4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-(3-acetylphenyl)-4-m-anisyl-piperazin-4-ium-1-carbothioamide Formula: C21H26N3O2S+ MolecularWeight: 384.51504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O2S/c1-16(25)18-6-4-7-19(14-18)22-21(27)24-11-9-23(10-12-24)15-17-5-3-8-20(13-17)26-2/h3-8,13-14H,9-12,15H2,1-2H3,(H,22,27)/p+1