N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-yl-ethyl]-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-pyridin-2-amine

Systemtic Name: N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-yl-ethyl]-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-pyridin-2-amine Openeye Name: N-[(2R)-2-(4-fluorophenyl)-2-morpholino-ethyl]-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-pyridin-2-amine CAS Name: N-[(2R)-2-(4-fluorophenyl)-2-(4-morpholinyl)ethyl]-5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridinamine IUPAC Name: N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-amine Traditional Name: [(2R)-2-(4-fluorophenyl)-2-morpholino-ethyl]-[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]amine Formula: C22H31FN5O3S+ MolecularWeight: 464.576643

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)NCC(C3=CC=C(C=C3)F)N4CCOCC4

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)NC[C@@H](C3=CC=C(C=C3)F)N4CCOCC4

InChI

InChI=1S/C22H30FN5O3S/c1-26-8-10-28(11-9-26)32(29,30)20-6-7-22(24-16-20)25-17-21(27-12-14-31-15-13-27)18-2-4-19(23)5-3-18/h2-7,16,21H,8-15,17H2,1H3,(H,24,25)/p+1/t21-/m0/s1