N-(2-ethylphenyl)-4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(2-ethylphenyl)-4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-(2-ethylphenyl)-4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carbothioamide CAS Name: N-(2-ethylphenyl)-4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(2-ethylphenyl)-4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-(2-ethylphenyl)-4-p-anisyl-piperazin-4-ium-1-carbothioamide Formula: C21H28N3OS+ MolecularWeight: 370.53152

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=S)N2CC[NH+](CC2)CC3=CC=C(C=C3)OC

Isomeric SMILES

CCC1=CC=CC=C1NC(=S)N2CC[NH+](CC2)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H27N3OS/c1-3-18-6-4-5-7-20(18)22-21(26)24-14-12-23(13-15-24)16-17-8-10-19(25-2)11-9-17/h4-11H,3,12-16H2,1-2H3,(H,22,26)/p+1