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

Systemtic Name: 4-[1-butyl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]benzimidazol-5-yl]sulfonylmorpholine Openeye Name: 4-[1-butyl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]benzimidazol-5-yl]sulfonylmorpholine CAS Name: 4-[[1-butyl-2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-5-benzimidazolyl]sulfonyl]morpholine IUPAC Name: 4-[1-butyl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]benzimidazol-5-yl]sulfonylmorpholine Traditional Name: 4-[1-butyl-2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]benzimidazol-5-yl]sulfonylmorpholine Formula: C24H34N7O3S+ MolecularWeight: 500.63686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1C[NH+]4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1C[NH+]4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C24H33N7O3S/c1-2-3-9-31-22-6-5-20(35(32,33)30-14-16-34-17-15-30)18-21(22)27-23(31)19-28-10-12-29(13-11-28)24-25-7-4-8-26-24/h4-8,18H,2-3,9-17,19H2,1H3/p+1