3-(4-ethylpiperazin-4-ium-1-yl)-6-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]pyridazine

Systemtic Name: 3-(4-ethylpiperazin-4-ium-1-yl)-6-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]pyridazine Openeye Name: 3-(4-ethylpiperazin-4-ium-1-yl)-6-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]pyridazine CAS Name: 3-(4-ethyl-1-piperazin-4-iumyl)-6-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]pyridazine IUPAC Name: 3-(4-ethylpiperazin-4-ium-1-yl)-6-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]pyridazine Traditional Name: 3-(4-ethylpiperazin-4-ium-1-yl)-6-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]pyridazine Formula: C21H30N7O4S+ MolecularWeight: 476.5724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NN=C(C=C2)N3CCN(CC3)S(=O)(=O)C4=C(C=CC(=C4)[N+](=O)[O-])C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NN=C(C=C2)N3CCN(CC3)S(=O)(=O)C4=C(C=CC(=C4)[N+](=O)[O-])C

InChI

InChI=1S/C21H29N7O4S/c1-3-24-8-10-25(11-9-24)20-6-7-21(23-22-20)26-12-14-27(15-13-26)33(31,32)19-16-18(28(29)30)5-4-17(19)2/h4-7,16H,3,8-15H2,1-2H3/p+1