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

Systemtic Name: N-(3-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-(3-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carbothioamide CAS Name: N-(3-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(3-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-(3-methoxyphenyl)-4-p-anisyl-piperazin-4-ium-1-carbothioamide Formula: C20H26N3O2S+ MolecularWeight: 372.50434

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=S)NC3=CC(=CC=C3)OC

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=S)NC3=CC(=CC=C3)OC

InChI

InChI=1S/C20H25N3O2S/c1-24-18-8-6-16(7-9-18)15-22-10-12-23(13-11-22)20(26)21-17-4-3-5-19(14-17)25-2/h3-9,14H,10-13,15H2,1-2H3,(H,21,26)/p+1