1-[(2S)-1-methyl-1,2-dihydropyridin-1-ium-2-yl]-4-(4-nitrophenyl)sulfonyl-piperazine

Systemtic Name: 1-[(2S)-1-methyl-1,2-dihydropyridin-1-ium-2-yl]-4-(4-nitrophenyl)sulfonyl-piperazine Openeye Name: 1-[(2S)-1-methyl-1,2-dihydropyridin-1-ium-2-yl]-4-(4-nitrophenyl)sulfonyl-piperazine CAS Name: 1-[(2S)-1-methyl-1,2-dihydropyridin-1-ium-2-yl]-4-(4-nitrophenyl)sulfonylpiperazine IUPAC Name: 1-[(2S)-1-methyl-1,2-dihydropyridin-1-ium-2-yl]-4-(4-nitrophenyl)sulfonylpiperazine Traditional Name: 1-[(2S)-1-methyl-1,2-dihydropyridin-1-ium-2-yl]-4-nosyl-piperazine Formula: C16H21N4O4S+ MolecularWeight: 365.42734

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1C=CC=CC1N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1C=CC=C[C@H]1N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H20N4O4S/c1-17-9-3-2-4-16(17)18-10-12-19(13-11-18)25(23,24)15-7-5-14(6-8-15)20(21)22/h2-9,16H,10-13H2,1H3/p+1/t16-/m1/s1