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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4/c1-5-7-17-16(6-2)19(21)18-13(3)14(4)24(20(18)23-17)12-15-8-10-22-11-9-15/h8-11H,5-7,12H2,1-4H3,(H2,21,23)/p+1