4,7-dimethyl-2-(2-piperidin-1-ium-1-ylethyl)-6-prop-2-enyl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 4,7-dimethyl-2-(2-piperidin-1-ium-1-ylethyl)-6-prop-2-enyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-allyl-4,7-dimethyl-2-(2-piperidin-1-ium-1-ylethyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 4,7-dimethyl-2-[2-(1-piperidin-1-iumyl)ethyl]-6-prop-2-enylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 4,7-dimethyl-2-(2-piperidin-1-ium-1-ylethyl)-6-prop-2-enylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-allyl-4,7-dimethyl-2-(2-piperidin-1-ium-1-ylethyl)purin[7,8-a]imidazole-1,3-quinone Formula: C19H27N6O2+ MolecularWeight: 371.45668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C3=C(N=C2N1CC=C)N(C(=O)N(C3=O)CC[NH+]4CCCCC4)C

Isomeric SMILES

CC1=CN2C3=C(N=C2N1CC=C)N(C(=O)N(C3=O)CC[NH+]4CCCCC4)C

InChI

InChI=1S/C19H26N6O2/c1-4-8-23-14(2)13-25-15-16(20-18(23)25)21(3)19(27)24(17(15)26)12-11-22-9-6-5-7-10-22/h4,13H,1,5-12H2,2-3H3/p+1