2,3,5-trimethyl-6-phenyl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridin-7-ium-4-amine

Systemtic Name: 2,3,5-trimethyl-6-phenyl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridin-7-ium-4-amine Openeye Name: 2,3,5-trimethyl-6-phenyl-1-(2-pyridylmethyl)pyrrolo[2,3-b]pyridin-7-ium-4-amine CAS Name: 2,3,5-trimethyl-6-phenyl-1-(2-pyridinylmethyl)-4-pyrrolo[2,3-b]pyridin-7-iumamine IUPAC Name: 2,3,5-trimethyl-6-phenyl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridin-7-ium-4-amine Traditional Name: [2,3,5-trimethyl-6-phenyl-1-(2-pyridylmethyl)pyrrolo[2,3-b]pyridin-7-ium-4-yl]amine Formula: C22H23N4+ MolecularWeight: 343.44482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=[NH+]C(=C(C(=C12)N)C)C3=CC=CC=C3)CC4=CC=CC=N4)C

Isomeric SMILES

CC1=C(N(C2=[NH+]C(=C(C(=C12)N)C)C3=CC=CC=C3)CC4=CC=CC=N4)C

InChI

InChI=1S/C22H22N4/c1-14-16(3)26(13-18-11-7-8-12-24-18)22-19(14)20(23)15(2)21(25-22)17-9-5-4-6-10-17/h4-12H,13H2,1-3H3,(H2,23,25)/p+1