5-ethyl-2,3-dimethyl-6-propyl-1-(pyridin-3-ylmethyl)pyrrolo[2,3-b]pyridin-7-ium-4-amine

Systemtic Name: 5-ethyl-2,3-dimethyl-6-propyl-1-(pyridin-3-ylmethyl)pyrrolo[2,3-b]pyridin-7-ium-4-amine Openeye Name: 5-ethyl-2,3-dimethyl-6-propyl-1-(3-pyridylmethyl)pyrrolo[2,3-b]pyridin-7-ium-4-amine CAS Name: 5-ethyl-2,3-dimethyl-6-propyl-1-(3-pyridinylmethyl)-4-pyrrolo[2,3-b]pyridin-7-iumamine IUPAC Name: 5-ethyl-2,3-dimethyl-6-propyl-1-(pyridin-3-ylmethyl)pyrrolo[2,3-b]pyridin-7-ium-4-amine Traditional Name: [5-ethyl-2,3-dimethyl-6-propyl-1-(3-pyridylmethyl)pyrrolo[2,3-b]pyridin-7-ium-4-yl]amine Formula: C20H27N4+ MolecularWeight: 323.45518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C2C(=C(N(C2=[NH+]1)CC3=CN=CC=C3)C)C)N)CC

Isomeric SMILES

CCCC1=C(C(=C2C(=C(N(C2=[NH+]1)CC3=CN=CC=C3)C)C)N)CC

InChI

InChI=1S/C20H26N4/c1-5-8-17-16(6-2)19(21)18-13(3)14(4)24(20(18)23-17)12-15-9-7-10-22-11-15/h7,9-11H,5-6,8,12H2,1-4H3,(H2,21,23)/p+1