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

Systemtic Name: 2,3,6-trimethyl-5-(phenylmethyl)-1-(pyridin-3-ylmethyl)pyrrolo[2,3-b]pyridin-7-ium-4-amine Openeye Name: 5-benzyl-2,3,6-trimethyl-1-(3-pyridylmethyl)pyrrolo[2,3-b]pyridin-7-ium-4-amine CAS Name: 2,3,6-trimethyl-5-(phenylmethyl)-1-(3-pyridinylmethyl)-4-pyrrolo[2,3-b]pyridin-7-iumamine IUPAC Name: 5-benzyl-2,3,6-trimethyl-1-(pyridin-3-ylmethyl)pyrrolo[2,3-b]pyridin-7-ium-4-amine Traditional Name: [5-benzyl-2,3,6-trimethyl-1-(3-pyridylmethyl)pyrrolo[2,3-b]pyridin-7-ium-4-yl]amine Formula: C23H25N4+ MolecularWeight: 357.4714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=[NH+]C(=C(C(=C12)N)CC3=CC=CC=C3)C)CC4=CN=CC=C4)C

Isomeric SMILES

CC1=C(N(C2=[NH+]C(=C(C(=C12)N)CC3=CC=CC=C3)C)CC4=CN=CC=C4)C

InChI

InChI=1S/C23H24N4/c1-15-17(3)27(14-19-10-7-11-25-13-19)23-21(15)22(24)20(16(2)26-23)12-18-8-5-4-6-9-18/h4-11,13H,12,14H2,1-3H3,(H2,24,26)/p+1