N-[2-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]-3H-benzimidazole-5-carboxamide

Systemtic Name: N-[2-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]-3H-benzimidazole-5-carboxamide Openeye Name: N-[2-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]-3H-benzimidazole-5-carboxamide CAS Name: N-[2-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]-3H-benzimidazole-5-carboxamide IUPAC Name: N-[2-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]-3H-benzimidazole-5-carboxamide Traditional Name: N-[2-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]-3H-benzimidazole-5-carboxamide Formula: C21H25N4O+ MolecularWeight: 349.4494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C1=CC2=C(C=C1)N=CN2)[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

CC(C)(CNC(=O)C1=CC2=C(C=C1)N=CN2)[NH+]3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H24N4O/c1-21(2,25-10-9-15-5-3-4-6-17(15)12-25)13-22-20(26)16-7-8-18-19(11-16)24-14-23-18/h3-8,11,14H,9-10,12-13H2,1-2H3,(H,22,26)(H,23,24)/p+1