(4-cyclohexylpiperazin-4-ium-1-yl)-[2-(dimethylamino)-6-thiophen-3-yl-pyridin-3-yl]methanone

Systemtic Name: (4-cyclohexylpiperazin-4-ium-1-yl)-[2-(dimethylamino)-6-thiophen-3-yl-pyridin-3-yl]methanone Openeye Name: (4-cyclohexylpiperazin-4-ium-1-yl)-[2-(dimethylamino)-6-(3-thienyl)-3-pyridyl]methanone CAS Name: (4-cyclohexyl-1-piperazin-4-iumyl)-[2-(dimethylamino)-6-(3-thiophenyl)-3-pyridinyl]methanone IUPAC Name: (4-cyclohexylpiperazin-4-ium-1-yl)-[2-(dimethylamino)-6-thiophen-3-ylpyridin-3-yl]methanone Traditional Name: (4-cyclohexylpiperazin-4-ium-1-yl)-[2-(dimethylamino)-6-(3-thienyl)-3-pyridyl]methanone Formula: C22H31N4OS+ MolecularWeight: 399.57274

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=CC(=N1)C2=CSC=C2)C(=O)N3CC[NH+](CC3)C4CCCCC4

Isomeric SMILES

CN(C)C1=C(C=CC(=N1)C2=CSC=C2)C(=O)N3CC[NH+](CC3)C4CCCCC4

InChI

InChI=1S/C22H30N4OS/c1-24(2)21-19(8-9-20(23-21)17-10-15-28-16-17)22(27)26-13-11-25(12-14-26)18-6-4-3-5-7-18/h8-10,15-16,18H,3-7,11-14H2,1-2H3/p+1