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

Systemtic Name: 4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-N-phenethyl-piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-N-phenethyl-piperazin-4-ium-1-carbothioamide CAS Name: 4-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-phenethyl-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-phenethylpiperazin-4-ium-1-carbothioamide Traditional Name: 4-(4,5-dimethoxy-2-methyl-benzyl)-N-phenethyl-piperazin-4-ium-1-carbothioamide Formula: C23H32N3O2S+ MolecularWeight: 414.58408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[NH+]2CCN(CC2)C(=S)NCCC3=CC=CC=C3)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1C[NH+]2CCN(CC2)C(=S)NCCC3=CC=CC=C3)OC)OC

InChI

InChI=1S/C23H31N3O2S/c1-18-15-21(27-2)22(28-3)16-20(18)17-25-11-13-26(14-12-25)23(29)24-10-9-19-7-5-4-6-8-19/h4-8,15-16H,9-14,17H2,1-3H3,(H,24,29)/p+1