4-[(2,5-dimethoxyphenyl)methyl]-N-phenethyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[(2,5-dimethoxyphenyl)methyl]-N-phenethyl-piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(2,5-dimethoxyphenyl)methyl]-N-phenethyl-piperazin-4-ium-1-carbothioamide CAS Name: 4-[(2,5-dimethoxyphenyl)methyl]-N-phenethyl-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(2,5-dimethoxyphenyl)methyl]-N-phenethylpiperazin-4-ium-1-carbothioamide Traditional Name: 4-(2,5-dimethoxybenzyl)-N-phenethyl-piperazin-4-ium-1-carbothioamide Formula: C22H30N3O2S+ MolecularWeight: 400.5575

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O2S/c1-26-20-8-9-21(27-2)19(16-20)17-24-12-14-25(15-13-24)22(28)23-11-10-18-6-4-3-5-7-18/h3-9,16H,10-15,17H2,1-2H3,(H,23,28)/p+1