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

Systemtic Name: 4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-N-prop-2-enyl-piperazin-4-ium-1-carbothioamide Openeye Name: N-allyl-4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-4-ium-1-carbothioamide CAS Name: 4-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-prop-2-enyl-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-prop-2-enylpiperazin-4-ium-1-carbothioamide Traditional Name: N-allyl-4-(4,5-dimethoxy-2-methyl-benzyl)piperazin-4-ium-1-carbothioamide Formula: C18H28N3O2S+ MolecularWeight: 350.49882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O2S/c1-5-6-19-18(24)21-9-7-20(8-10-21)13-15-12-17(23-4)16(22-3)11-14(15)2/h5,11-12H,1,6-10,13H2,2-4H3,(H,19,24)/p+1