1,3-dimethyl-8-(2-methylpiperidin-1-ium-1-ylidene)-7-phenacyl-9H-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-(2-methylpiperidin-1-ium-1-ylidene)-7-phenacyl-9H-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-(2-methylpiperidin-1-ium-1-ylidene)-7-phenacyl-9H-purine-2,6-dione CAS Name: 1,3-dimethyl-8-(2-methyl-1-piperidin-1-iumylidene)-7-phenacyl-9H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(2-methylpiperidin-1-ium-1-ylidene)-7-phenacyl-9H-purine-2,6-dione Traditional Name: 1,3-dimethyl-8-(2-methylpiperidin-1-ium-1-ylidene)-7-phenacyl-9H-purine-2,6-quinone Formula: C21H26N5O3+ MolecularWeight: 396.46284

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[N+]1=C2NC3=C(N2CC(=O)C4=CC=CC=C4)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1CCCC[N+]1=C2NC3=C(N2CC(=O)C4=CC=CC=C4)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C21H25N5O3/c1-14-9-7-8-12-25(14)20-22-18-17(19(28)24(3)21(29)23(18)2)26(20)13-16(27)15-10-5-4-6-11-15/h4-6,10-11,14H,7-9,12-13H2,1-3H3/p+1