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

Systemtic Name: 2-[4-azanyl-5,6-dimethyl-7-(pyridin-4-ylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-3-yl]ethyl-dimethyl-azanium Openeye Name: 2-[4-amino-5,6-dimethyl-7-(4-pyridylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-3-yl]ethyl-dimethyl-ammonium CAS Name: 2-[4-amino-5,6-dimethyl-7-(pyridin-4-ylmethyl)-3-pyrrolo[2,3-d]pyrimidin-3-iumyl]ethyl-dimethylammonium IUPAC Name: 2-[4-amino-5,6-dimethyl-7-(pyridin-4-ylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-3-yl]ethyl-dimethylazanium Traditional Name: 2-[4-amino-5,6-dimethyl-7-(4-pyridylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-3-yl]ethyl-dimethyl-ammonium Formula: C18H26N6+2 MolecularWeight: 326.43924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N6/c1-13-14(2)24(11-15-5-7-20-8-6-15)18-16(13)17(19)23(12-21-18)10-9-22(3)4/h5-8,12,19H,9-11H2,1-4H3/p+2