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

Systemtic Name: 1-(5-nitropyridin-1-ium-2-yl)-4-(2,4,6-trimethylphenyl)sulfonyl-piperazine Openeye Name: 1-(5-nitropyridin-1-ium-2-yl)-4-(2,4,6-trimethylphenyl)sulfonyl-piperazine CAS Name: 1-(5-nitro-2-pyridin-1-iumyl)-4-(2,4,6-trimethylphenyl)sulfonylpiperazine IUPAC Name: 1-(5-nitropyridin-1-ium-2-yl)-4-(2,4,6-trimethylphenyl)sulfonylpiperazine Traditional Name: 1-mesitylsulfonyl-4-(5-nitropyridin-1-ium-2-yl)piperazine Formula: C18H23N4O4S+ MolecularWeight: 391.46462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C3=[NH+]C=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C3=[NH+]C=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C18H22N4O4S/c1-13-10-14(2)18(15(3)11-13)27(25,26)21-8-6-20(7-9-21)17-5-4-16(12-19-17)22(23)24/h4-5,10-12H,6-9H2,1-3H3/p+1