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

Systemtic Name: 4-[1-ethyl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]benzimidazol-5-yl]sulfonylmorpholine Openeye Name: 4-[1-ethyl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]benzimidazol-5-yl]sulfonylmorpholine CAS Name: 4-[[1-ethyl-2-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-5-benzimidazolyl]sulfonyl]morpholine IUPAC Name: 4-[1-ethyl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]benzimidazol-5-yl]sulfonylmorpholine Traditional Name: 4-[1-ethyl-2-[(4-pyridin-1-ium-2-ylpiperazino)methyl]benzimidazol-5-yl]sulfonylmorpholine Formula: C23H31N6O3S+ MolecularWeight: 471.59564

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CN4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CN4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C23H30N6O3S/c1-2-29-21-7-6-19(33(30,31)28-13-15-32-16-14-28)17-20(21)25-23(29)18-26-9-11-27(12-10-26)22-5-3-4-8-24-22/h3-8,17H,2,9-16,18H2,1H3/p+1