3-[4-azanyl-5,6-dimethyl-7-(pyridin-4-ylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-3-yl]propyl-dimethyl-azanium

Systemtic Name: 3-[4-azanyl-5,6-dimethyl-7-(pyridin-4-ylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-3-yl]propyl-dimethyl-azanium Openeye Name: 3-[4-amino-5,6-dimethyl-7-(4-pyridylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-3-yl]propyl-dimethyl-ammonium CAS Name: 3-[4-amino-5,6-dimethyl-7-(pyridin-4-ylmethyl)-3-pyrrolo[2,3-d]pyrimidin-3-iumyl]propyl-dimethylammonium IUPAC Name: 3-[4-amino-5,6-dimethyl-7-(pyridin-4-ylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-3-yl]propyl-dimethylazanium Traditional Name: 3-[4-amino-5,6-dimethyl-7-(4-pyridylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-3-yl]propyl-dimethyl-ammonium Formula: C19H28N6+2 MolecularWeight: 340.46582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C(=[N+](C=N2)CCC[NH+](C)C)N)CC3=CC=NC=C3)C

Isomeric SMILES

CC1=C(N(C2=C1C(=[N+](C=N2)CCC[NH+](C)C)N)CC3=CC=NC=C3)C

InChI

InChI=1S/C19H26N6/c1-14-15(2)25(12-16-6-8-21-9-7-16)19-17(14)18(20)24(13-22-19)11-5-10-23(3)4/h6-9,13,20H,5,10-12H2,1-4H3/p+2