3-[[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-9-ethyl-carbazole

Systemtic Name: 3-[[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-9-ethyl-carbazole Openeye Name: 3-[[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-9-ethyl-carbazole CAS Name: 3-[[4-(4-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-9-ethylcarbazole IUPAC Name: 3-[[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-9-ethylcarbazole Traditional Name: 3-[[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-9-ethyl-carbazole Formula: C25H27ClN3O2S+ MolecularWeight: 469.01878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl)C5=CC=CC=C51

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl)C5=CC=CC=C51

InChI

InChI=1S/C25H26ClN3O2S/c1-2-29-24-6-4-3-5-22(24)23-17-19(7-12-25(23)29)18-27-13-15-28(16-14-27)32(30,31)21-10-8-20(26)9-11-21/h3-12,17H,2,13-16,18H2,1H3/p+1