1-(3-nitropyridin-1-ium-2-yl)-4-(2,3,5,6-tetramethylphenyl)sulfonyl-piperazine

Systemtic Name: 1-(3-nitropyridin-1-ium-2-yl)-4-(2,3,5,6-tetramethylphenyl)sulfonyl-piperazine Openeye Name: 1-(3-nitropyridin-1-ium-2-yl)-4-(2,3,5,6-tetramethylphenyl)sulfonyl-piperazine CAS Name: 1-(3-nitro-2-pyridin-1-iumyl)-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine IUPAC Name: 1-(3-nitropyridin-1-ium-2-yl)-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine Traditional Name: 1-(3-nitropyridin-1-ium-2-yl)-4-(2,3,5,6-tetramethylphenyl)sulfonyl-piperazine Formula: C19H25N4O4S+ MolecularWeight: 405.4912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)C3=C(C=CC=[NH+]3)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)C3=C(C=CC=[NH+]3)[N+](=O)[O-])C)C

InChI

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