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

Systemtic Name: 4-[1-ethyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzimidazol-5-yl]sulfonylmorpholine Openeye Name: 4-[1-ethyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzimidazol-5-yl]sulfonylmorpholine CAS Name: 4-[[1-ethyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-5-benzimidazolyl]sulfonyl]morpholine IUPAC Name: 4-[1-ethyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzimidazol-5-yl]sulfonylmorpholine Traditional Name: 4-[1-ethyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzimidazol-5-yl]sulfonylmorpholine Formula: C23H29N4O3S+ MolecularWeight: 441.56636

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1C[NH+]4CCC5=CC=CC=C5C4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1C[NH+]4CCC5=CC=CC=C5C4

InChI

InChI=1S/C23H28N4O3S/c1-2-27-22-8-7-20(31(28,29)26-11-13-30-14-12-26)15-21(22)24-23(27)17-25-10-9-18-5-3-4-6-19(18)16-25/h3-8,15H,2,9-14,16-17H2,1H3/p+1