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

Systemtic Name: N-cyclohexyl-4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-cyclohexyl-4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-4-ium-1-carbothioamide CAS Name: N-cyclohexyl-4-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-cyclohexyl-4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-cyclohexyl-4-(4,5-dimethoxy-2-methyl-benzyl)piperazin-4-ium-1-carbothioamide Formula: C21H34N3O2S+ MolecularWeight: 392.57856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[NH+]2CCN(CC2)C(=S)NC3CCCCC3)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1C[NH+]2CCN(CC2)C(=S)NC3CCCCC3)OC)OC

InChI

InChI=1S/C21H33N3O2S/c1-16-13-19(25-2)20(26-3)14-17(16)15-23-9-11-24(12-10-23)21(27)22-18-7-5-4-6-8-18/h13-14,18H,4-12,15H2,1-3H3,(H,22,27)/p+1