4-[1-butyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzimidazol-5-yl]sulfonylmorpholine

Systemtic Name: 4-[1-butyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzimidazol-5-yl]sulfonylmorpholine Openeye Name: 4-[1-butyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzimidazol-5-yl]sulfonylmorpholine CAS Name: 4-[[1-butyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-5-benzimidazolyl]sulfonyl]morpholine IUPAC Name: 4-[1-butyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzimidazol-5-yl]sulfonylmorpholine Traditional Name: 4-[1-butyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzimidazol-5-yl]sulfonylmorpholine Formula: C25H33N4O3S+ MolecularWeight: 469.61952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1C[NH+]4CCC5=CC=CC=C5C4

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1C[NH+]4CCC5=CC=CC=C5C4

InChI

InChI=1S/C25H32N4O3S/c1-2-3-11-29-24-9-8-22(33(30,31)28-13-15-32-16-14-28)17-23(24)26-25(29)19-27-12-10-20-6-4-5-7-21(20)18-27/h4-9,17H,2-3,10-16,18-19H2,1H3/p+1