(1-methylindol-3-yl)-[(5R)-4,5,6,7-tetrahydro-3H-benzimidazol-1-ium-5-yl]methanone

Systemtic Name: (1-methylindol-3-yl)-[(5R)-4,5,6,7-tetrahydro-3H-benzimidazol-1-ium-5-yl]methanone Openeye Name: (1-methylindol-3-yl)-[(5R)-4,5,6,7-tetrahydro-3H-benzimidazol-1-ium-5-yl]methanone CAS Name: (1-methyl-3-indolyl)-[(5R)-4,5,6,7-tetrahydro-3H-benzimidazol-1-ium-5-yl]methanone IUPAC Name: (1-methylindol-3-yl)-[(5R)-4,5,6,7-tetrahydro-3H-benzimidazol-1-ium-5-yl]methanone Traditional Name: (1-methylindol-3-yl)-[(5R)-4,5,6,7-tetrahydro-3H-benzimidazol-1-ium-5-yl]methanone Formula: C17H18N3O+ MolecularWeight: 280.34432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C(=O)C3CCC4=C(C3)NC=[NH+]4

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C(=O)[C@@H]3CCC4=C(C3)NC=[NH+]4

InChI

InChI=1S/C17H17N3O/c1-20-9-13(12-4-2-3-5-16(12)20)17(21)11-6-7-14-15(8-11)19-10-18-14/h2-5,9-11H,6-8H2,1H3,(H,18,19)/p+1/t11-/m1/s1