1-(3-nitropyridin-1-ium-2-yl)-4-(4-propan-2-ylphenyl)sulfonyl-piperazine

Systemtic Name: 1-(3-nitropyridin-1-ium-2-yl)-4-(4-propan-2-ylphenyl)sulfonyl-piperazine Openeye Name: 1-(4-isopropylphenyl)sulfonyl-4-(3-nitropyridin-1-ium-2-yl)piperazine CAS Name: 1-(3-nitro-2-pyridin-1-iumyl)-4-(4-propan-2-ylphenyl)sulfonylpiperazine IUPAC Name: 1-(3-nitropyridin-1-ium-2-yl)-4-(4-propan-2-ylphenyl)sulfonylpiperazine Traditional Name: 1-(3-nitropyridin-1-ium-2-yl)-4-p-cumenylsulfonyl-piperazine Formula: C18H23N4O4S+ MolecularWeight: 391.46462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C=CC=[NH+]3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C=CC=[NH+]3)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O4S/c1-14(2)15-5-7-16(8-6-15)27(25,26)21-12-10-20(11-13-21)18-17(22(23)24)4-3-9-19-18/h3-9,14H,10-13H2,1-2H3/p+1