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

Systemtic Name: 3-(4-azanyl-5,6-dimethyl-7-phenyl-pyrrolo[2,3-d]pyrimidin-3-ium-3-yl)propyl-dimethyl-azanium Openeye Name: 3-(4-amino-5,6-dimethyl-7-phenyl-pyrrolo[2,3-d]pyrimidin-3-ium-3-yl)propyl-dimethyl-ammonium CAS Name: 3-(4-amino-5,6-dimethyl-7-phenyl-3-pyrrolo[2,3-d]pyrimidin-3-iumyl)propyl-dimethylammonium IUPAC Name: 3-(4-amino-5,6-dimethyl-7-phenylpyrrolo[2,3-d]pyrimidin-3-ium-3-yl)propyl-dimethylazanium Traditional Name: 3-(4-amino-5,6-dimethyl-7-phenyl-pyrrolo[2,3-d]pyrimidin-3-ium-3-yl)propyl-dimethyl-ammonium Formula: C19H27N5+2 MolecularWeight: 325.45118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N5/c1-14-15(2)24(16-9-6-5-7-10-16)19-17(14)18(20)23(13-21-19)12-8-11-22(3)4/h5-7,9-10,13,20H,8,11-12H2,1-4H3/p+2