1-ethyl-N,N-dimethyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzimidazole-5-sulfonamide

Systemtic Name: 1-ethyl-N,N-dimethyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzimidazole-5-sulfonamide Openeye Name: 1-ethyl-N,N-dimethyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzimidazole-5-sulfonamide CAS Name: 1-ethyl-N,N-dimethyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-5-benzimidazolesulfonamide IUPAC Name: 1-ethyl-N,N-dimethyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzimidazole-5-sulfonamide Traditional Name: 1-ethyl-N,N-dimethyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzimidazole-5-sulfonamide Formula: C21H27N4O2S+ MolecularWeight: 399.52968

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1C[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1C[NH+]3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H26N4O2S/c1-4-25-20-10-9-18(28(26,27)23(2)3)13-19(20)22-21(25)15-24-12-11-16-7-5-6-8-17(16)14-24/h5-10,13H,4,11-12,14-15H2,1-3H3/p+1