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

Systemtic Name: 1-(4-ethoxyphenyl)sulfonyl-4-(3-nitropyridin-1-ium-2-yl)piperazine Openeye Name: 1-(4-ethoxyphenyl)sulfonyl-4-(3-nitropyridin-1-ium-2-yl)piperazine CAS Name: 1-(4-ethoxyphenyl)sulfonyl-4-(3-nitro-2-pyridin-1-iumyl)piperazine IUPAC Name: 1-(4-ethoxyphenyl)sulfonyl-4-(3-nitropyridin-1-ium-2-yl)piperazine Traditional Name: 1-(3-nitropyridin-1-ium-2-yl)-4-p-phenetylsulfonyl-piperazine Formula: C17H21N4O5S+ MolecularWeight: 393.43744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C=CC=[NH+]3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C=CC=[NH+]3)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O5S/c1-2-26-14-5-7-15(8-6-14)27(24,25)20-12-10-19(11-13-20)17-16(21(22)23)4-3-9-18-17/h3-9H,2,10-13H2,1H3/p+1