7-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]-1,3-dimethyl-8-(4-methylpiperidin-1-ium-1-ylidene)-9H-purine-2,6-dione

Systemtic Name: 7-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]-1,3-dimethyl-8-(4-methylpiperidin-1-ium-1-ylidene)-9H-purine-2,6-dione Openeye Name: 7-[2-(3,4-dimethoxyphenyl)-2-oxo-ethyl]-1,3-dimethyl-8-(4-methylpiperidin-1-ium-1-ylidene)-9H-purine-2,6-dione CAS Name: 7-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-1,3-dimethyl-8-(4-methyl-1-piperidin-1-iumylidene)-9H-purine-2,6-dione IUPAC Name: 7-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-1,3-dimethyl-8-(4-methylpiperidin-1-ium-1-ylidene)-9H-purine-2,6-dione Traditional Name: 7-[2-(3,4-dimethoxyphenyl)-2-keto-ethyl]-1,3-dimethyl-8-(4-methylpiperidin-1-ium-1-ylidene)-9H-purine-2,6-quinone Formula: C23H30N5O5+ MolecularWeight: 456.5148

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[N+](=C2NC3=C(N2CC(=O)C4=CC(=C(C=C4)OC)OC)C(=O)N(C(=O)N3C)C)CC1

Isomeric SMILES

CC1CC[N+](=C2NC3=C(N2CC(=O)C4=CC(=C(C=C4)OC)OC)C(=O)N(C(=O)N3C)C)CC1

InChI

InChI=1S/C23H29N5O5/c1-14-8-10-27(11-9-14)22-24-20-19(21(30)26(3)23(31)25(20)2)28(22)13-16(29)15-6-7-17(32-4)18(12-15)33-5/h6-7,12,14H,8-11,13H2,1-5H3/p+1