4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-2-nitro-aniline

Systemtic Name: 4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-2-nitro-aniline Openeye Name: 4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-2-nitro-aniline CAS Name: 4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-2-nitroaniline IUPAC Name: 4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-2-nitroaniline Traditional Name: [4-[(3S)-3-methylpiperidino]sulfonyl-2-nitro-phenyl]-[(6-morpholinopyridin-1-ium-3-yl)methyl]amine Formula: C22H30N5O5S+ MolecularWeight: 476.5691

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=C[NH+]=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=C[NH+]=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H29N5O5S/c1-17-3-2-8-26(16-17)33(30,31)19-5-6-20(21(13-19)27(28)29)23-14-18-4-7-22(24-15-18)25-9-11-32-12-10-25/h4-7,13,15,17,23H,2-3,8-12,14,16H2,1H3/p+1/t17-/m0/s1