[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-(6-morpholin-4-ylpyridin-1-ium-3-yl)methanone

Systemtic Name: [4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-(6-morpholin-4-ylpyridin-1-ium-3-yl)methanone Openeye Name: [4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-(6-morpholinopyridin-1-ium-3-yl)methanone CAS Name: [4-(4-cyclohexylphenyl)sulfonyl-1-piperazinyl]-[6-(4-morpholinyl)-3-pyridin-1-iumyl]methanone IUPAC Name: [4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-(6-morpholin-4-ylpyridin-1-ium-3-yl)methanone Traditional Name: [4-(4-cyclohexylphenyl)sulfonylpiperazino]-(6-morpholinopyridin-1-ium-3-yl)methanone Formula: C26H35N4O4S+ MolecularWeight: 499.6455

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C4=C[NH+]=C(C=C4)N5CCOCC5

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C4=C[NH+]=C(C=C4)N5CCOCC5

InChI

InChI=1S/C26H34N4O4S/c31-26(23-8-11-25(27-20-23)28-16-18-34-19-17-28)29-12-14-30(15-13-29)35(32,33)24-9-6-22(7-10-24)21-4-2-1-3-5-21/h6-11,20-21H,1-5,12-19H2/p+1