4-(1-adamantyl)-N-(3,4-dimethoxyphenyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-(1-adamantyl)-N-(3,4-dimethoxyphenyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-(1-adamantyl)-N-(3,4-dimethoxyphenyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-(1-adamantyl)-N-(3,4-dimethoxyphenyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-(1-adamantyl)-N-(3,4-dimethoxyphenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-(1-adamantyl)-N-(3,4-dimethoxyphenyl)piperazin-4-ium-1-carbothioamide Formula: C23H34N3O2S+ MolecularWeight: 416.59996

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=S)N2CC[NH+](CC2)C34CC5CC(C3)CC(C5)C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=S)N2CC[NH+](CC2)C34CC5CC(C3)CC(C5)C4)OC

InChI

InChI=1S/C23H33N3O2S/c1-27-20-4-3-19(12-21(20)28-2)24-22(29)25-5-7-26(8-6-25)23-13-16-9-17(14-23)11-18(10-16)15-23/h3-4,12,16-18H,5-11,13-15H2,1-2H3,(H,24,29)/p+1