N-[2-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]ethyl]-5-nitro-pyridin-1-ium-2-amine

Systemtic Name: N-[2-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]ethyl]-5-nitro-pyridin-1-ium-2-amine Openeye Name: N-[2-[4-[[(2S)-2-methyl-1-piperidyl]sulfonyl]phenyl]ethyl]-5-nitro-pyridin-1-ium-2-amine CAS Name: N-[2-[4-[[(2S)-2-methyl-1-piperidinyl]sulfonyl]phenyl]ethyl]-5-nitro-2-pyridin-1-iumamine IUPAC Name: N-[2-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]ethyl]-5-nitropyridin-1-ium-2-amine Traditional Name: 2-[4-[(2S)-2-methylpiperidino]sulfonylphenyl]ethyl-(5-nitropyridin-1-ium-2-yl)amine Formula: C19H25N4O4S+ MolecularWeight: 405.4912

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)CCNC3=[NH+]C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCCN1S(=O)(=O)C2=CC=C(C=C2)CCNC3=[NH+]C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H24N4O4S/c1-15-4-2-3-13-22(15)28(26,27)18-8-5-16(6-9-18)11-12-20-19-10-7-17(14-21-19)23(24)25/h5-10,14-15H,2-4,11-13H2,1H3,(H,20,21)/p+1/t15-/m0/s1