N-cyclohexyl-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide

Systemtic Name: N-cyclohexyl-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide Openeye Name: N-cyclohexyl-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide CAS Name: N-cyclohexyl-4-(2-pyridin-1-iumyl)-1-piperazinecarbothioamide IUPAC Name: N-cyclohexyl-4-pyridin-1-ium-2-ylpiperazine-1-carbothioamide Traditional Name: N-cyclohexyl-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide Formula: C16H25N4S+ MolecularWeight: 305.4615

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=S)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CCC(CC1)NC(=S)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C16H24N4S/c21-16(18-14-6-2-1-3-7-14)20-12-10-19(11-13-20)15-8-4-5-9-17-15/h4-5,8-9,14H,1-3,6-7,10-13H2,(H,18,21)/p+1