4-[1-ethyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzimidazol-5-yl]sulfonylmorpholine

Systemtic Name: 4-[1-ethyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzimidazol-5-yl]sulfonylmorpholine Openeye Name: 4-[1-ethyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzimidazol-5-yl]sulfonylmorpholine CAS Name: 4-[[1-ethyl-2-[(4-phenyl-1-piperazin-1-iumyl)methyl]-5-benzimidazolyl]sulfonyl]morpholine IUPAC Name: 4-[1-ethyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzimidazol-5-yl]sulfonylmorpholine Traditional Name: 4-[1-ethyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzimidazol-5-yl]sulfonylmorpholine Formula: C24H32N5O3S+ MolecularWeight: 470.60758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1C[NH+]4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1C[NH+]4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C24H31N5O3S/c1-2-29-23-9-8-21(33(30,31)28-14-16-32-17-15-28)18-22(23)25-24(29)19-26-10-12-27(13-11-26)20-6-4-3-5-7-20/h3-9,18H,2,10-17,19H2,1H3/p+1