2,3,5-trimethyl-6-phenyl-1-pyridin-1-ium-3-yl-pyrrolo[2,3-b]pyridin-4-amine

Systemtic Name: 2,3,5-trimethyl-6-phenyl-1-pyridin-1-ium-3-yl-pyrrolo[2,3-b]pyridin-4-amine Openeye Name: 2,3,5-trimethyl-6-phenyl-1-pyridin-1-ium-3-yl-pyrrolo[2,3-b]pyridin-4-amine CAS Name: 2,3,5-trimethyl-6-phenyl-1-(3-pyridin-1-iumyl)-4-pyrrolo[2,3-b]pyridinamine IUPAC Name: 2,3,5-trimethyl-6-phenyl-1-pyridin-1-ium-3-ylpyrrolo[2,3-b]pyridin-4-amine Traditional Name: (2,3,5-trimethyl-6-phenyl-1-pyridin-1-ium-3-yl-pyrrolo[2,3-b]pyridin-4-yl)amine Formula: C21H21N4+ MolecularWeight: 329.41824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=NC(=C(C(=C12)N)C)C3=CC=CC=C3)C4=C[NH+]=CC=C4)C

Isomeric SMILES

CC1=C(N(C2=NC(=C(C(=C12)N)C)C3=CC=CC=C3)C4=C[NH+]=CC=C4)C

InChI

InChI=1S/C21H20N4/c1-13-15(3)25(17-10-7-11-23-12-17)21-18(13)19(22)14(2)20(24-21)16-8-5-4-6-9-16/h4-12H,1-3H3,(H2,22,24)/p+1