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

Systemtic Name: 4-[(3-methoxyphenyl)methyl]-N-phenethyl-piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(3-methoxyphenyl)methyl]-N-phenethyl-piperazin-4-ium-1-carbothioamide CAS Name: 4-[(3-methoxyphenyl)methyl]-N-phenethyl-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(3-methoxyphenyl)methyl]-N-phenethylpiperazin-4-ium-1-carbothioamide Traditional Name: 4-m-anisyl-N-phenethyl-piperazin-4-ium-1-carbothioamide Formula: C21H28N3OS+ MolecularWeight: 370.53152

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C[NH+]2CCN(CC2)C(=S)NCCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1)C[NH+]2CCN(CC2)C(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H27N3OS/c1-25-20-9-5-8-19(16-20)17-23-12-14-24(15-13-23)21(26)22-11-10-18-6-3-2-4-7-18/h2-9,16H,10-15,17H2,1H3,(H,22,26)/p+1