3-[4-(3-imidazol-1-ylpropylamino)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-7-yl]propyl-dimethyl-azanium

Systemtic Name: 3-[4-(3-imidazol-1-ylpropylamino)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-7-yl]propyl-dimethyl-azanium Openeye Name: 3-[4-(3-imidazol-1-ylpropylamino)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-7-yl]propyl-dimethyl-ammonium CAS Name: 3-[4-[3-(1-imidazolyl)propylamino]-5,6-dimethyl-7-pyrrolo[2,3-d]pyrimidinyl]propyl-dimethylammonium IUPAC Name: 3-[4-(3-imidazol-1-ylpropylamino)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-7-yl]propyl-dimethylazanium Traditional Name: 3-[4-(3-imidazol-1-ylpropylamino)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-7-yl]propyl-dimethyl-ammonium Formula: C19H30N7+ MolecularWeight: 356.4884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C(=NC=N2)NCCCN3C=CN=C3)CCC[NH+](C)C)C

Isomeric SMILES

CC1=C(N(C2=C1C(=NC=N2)NCCCN3C=CN=C3)CCC[NH+](C)C)C

InChI

InChI=1S/C19H29N7/c1-15-16(2)26(11-6-9-24(3)4)19-17(15)18(22-13-23-19)21-7-5-10-25-12-8-20-14-25/h8,12-14H,5-7,9-11H2,1-4H3,(H,21,22,23)/p+1