N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]-6-morpholin-4-yl-pyridin-1-ium-3-amine

Systemtic Name: N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]-6-morpholin-4-yl-pyridin-1-ium-3-amine Openeye Name: N-[4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]-2-nitro-phenyl]-6-morpholino-pyridin-1-ium-3-amine CAS Name: N-[4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-2-nitrophenyl]-6-(4-morpholinyl)-3-pyridin-1-iumamine IUPAC Name: N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitrophenyl]-6-morpholin-4-ylpyridin-1-ium-3-amine Traditional Name: [4-[(3S)-3-methylpiperidino]sulfonyl-2-nitro-phenyl]-(6-morpholinopyridin-1-ium-3-yl)amine Formula: C21H28N5O5S+ MolecularWeight: 462.54252

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NC3=C[NH+]=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NC3=C[NH+]=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H27N5O5S/c1-16-3-2-8-25(15-16)32(29,30)18-5-6-19(20(13-18)26(27)28)23-17-4-7-21(22-14-17)24-9-11-31-12-10-24/h4-7,13-14,16,23H,2-3,8-12,15H2,1H3/p+1/t16-/m0/s1