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

Systemtic Name: 4-[1-butyl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]benzimidazol-5-yl]sulfonylmorpholine Openeye Name: 4-[1-butyl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]benzimidazol-5-yl]sulfonylmorpholine CAS Name: 4-[[1-butyl-2-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-5-benzimidazolyl]sulfonyl]morpholine IUPAC Name: 4-[1-butyl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]benzimidazol-5-yl]sulfonylmorpholine Traditional Name: 4-[1-butyl-2-[(4-pyridin-1-ium-2-ylpiperazino)methyl]benzimidazol-5-yl]sulfonylmorpholine Formula: C25H35N6O3S+ MolecularWeight: 499.6488

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CN4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CN4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C25H34N6O3S/c1-2-3-10-31-23-8-7-21(35(32,33)30-15-17-34-18-16-30)19-22(23)27-25(31)20-28-11-13-29(14-12-28)24-6-4-5-9-26-24/h4-9,19H,2-3,10-18,20H2,1H3/p+1