4-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-piperazin-4-ium-1-carbothioamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-piperazin-4-ium-1-carbothioamide CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexylpiperazin-4-ium-1-carbothioamide Traditional Name: N-cyclohexyl-4-piperonyl-piperazin-4-ium-1-carbothioamide Formula: C19H28N3O2S+ MolecularWeight: 362.50952

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=S)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCC(CC1)NC(=S)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H27N3O2S/c25-19(20-16-4-2-1-3-5-16)22-10-8-21(9-11-22)13-15-6-7-17-18(12-15)24-14-23-17/h6-7,12,16H,1-5,8-11,13-14H2,(H,20,25)/p+1