1,3-dimethyl-8-piperidin-1-ium-1-ylidene-7-[3-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylamino)propyl]-9H-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-piperidin-1-ium-1-ylidene-7-[3-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylamino)propyl]-9H-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-piperidin-1-ium-1-ylidene-7-[3-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylamino)propyl]-9H-purine-2,6-dione CAS Name: 1,3-dimethyl-8-(1-piperidin-1-iumylidene)-7-[3-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylamino)propyl]-9H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-piperidin-1-ium-1-ylidene-7-[3-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylamino)propyl]-9H-purine-2,6-dione Traditional Name: 1,3-dimethyl-8-piperidin-1-ium-1-ylidene-7-[3-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylamino)propyl]-9H-purine-2,6-quinone Formula: C21H35N7O2+2 MolecularWeight: 417.5483

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=[N+]3CCCCC3)N2)CCCNC4=[NH+]CCCCC4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=[N+]3CCCCC3)N2)CCCNC4=[NH+]CCCCC4

InChI

InChI=1S/C21H33N7O2/c1-25-18-17(19(29)26(2)21(25)30)28(20(24-18)27-13-7-4-8-14-27)15-9-12-23-16-10-5-3-6-11-22-16/h3-15H2,1-2H3,(H,22,23)/p+2