3-methyl-8-[4-(phenylmethyl)piperidin-1-ium-1-ylidene]-7-prop-2-enyl-5H-purine-2,6-dione

Systemtic Name: 3-methyl-8-[4-(phenylmethyl)piperidin-1-ium-1-ylidene]-7-prop-2-enyl-5H-purine-2,6-dione Openeye Name: 7-allyl-8-(4-benzylpiperidin-1-ium-1-ylidene)-3-methyl-5H-purine-2,6-dione CAS Name: 3-methyl-8-[4-(phenylmethyl)-1-piperidin-1-iumylidene]-7-prop-2-enyl-5H-purine-2,6-dione IUPAC Name: 8-(4-benzylpiperidin-1-ium-1-ylidene)-3-methyl-7-prop-2-enyl-5H-purine-2,6-dione Traditional Name: 7-allyl-8-(4-benzylpiperidin-1-ium-1-ylidene)-3-methyl-5H-purine-2,6-quinone Formula: C21H26N5O2+ MolecularWeight: 380.46344

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=NC(=[N+]3CCC(CC3)CC4=CC=CC=C4)N(C2C(=O)NC1=O)CC=C

Isomeric SMILES

CN1C2=NC(=[N+]3CCC(CC3)CC4=CC=CC=C4)N(C2C(=O)NC1=O)CC=C

InChI

InChI=1S/C21H25N5O2/c1-3-11-26-17-18(24(2)21(28)23-19(17)27)22-20(26)25-12-9-16(10-13-25)14-15-7-5-4-6-8-15/h3-8,16-17H,1,9-14H2,2H3/p+1