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

Systemtic Name: 4-[1-propyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzimidazol-5-yl]sulfonylmorpholine Openeye Name: 4-[1-propyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzimidazol-5-yl]sulfonylmorpholine CAS Name: 4-[[1-propyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-5-benzimidazolyl]sulfonyl]morpholine IUPAC Name: 4-[1-propyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzimidazol-5-yl]sulfonylmorpholine Traditional Name: 4-[1-propyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzimidazol-5-yl]sulfonylmorpholine Formula: C24H31N4O3S+ MolecularWeight: 455.59294

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1C[NH+]4CCC5=CC=CC=C5C4

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1C[NH+]4CCC5=CC=CC=C5C4

InChI

InChI=1S/C24H30N4O3S/c1-2-10-28-23-8-7-21(32(29,30)27-12-14-31-15-13-27)16-22(23)25-24(28)18-26-11-9-19-5-3-4-6-20(19)17-26/h3-8,16H,2,9-15,17-18H2,1H3/p+1