1-[1,3-dimethyl-7-[(4-methylphenyl)methyl]-2,6-bis(oxidanylidene)purin-8-yl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide

Systemtic Name: 1-[1,3-dimethyl-7-[(4-methylphenyl)methyl]-2,6-bis(oxidanylidene)purin-8-yl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide Openeye Name: 1-[1,3-dimethyl-2,6-dioxo-7-(p-tolylmethyl)purin-8-yl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide CAS Name: 1-[1,3-dimethyl-7-[(4-methylphenyl)methyl]-2,6-dioxo-8-purinyl]-4-(1-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-[1,3-dimethyl-7-[(4-methylphenyl)methyl]-2,6-dioxopurin-8-yl]-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide Traditional Name: 1-[2,6-diketo-1,3-dimethyl-7-(4-methylbenzyl)purin-8-yl]-4-piperidin-1-ium-1-yl-isonipecotamide Formula: C26H36N7O3+ MolecularWeight: 494.60914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(N=C2N4CCC(CC4)(C(=O)N)[NH+]5CCCCC5)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(N=C2N4CCC(CC4)(C(=O)N)[NH+]5CCCCC5)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C26H35N7O3/c1-18-7-9-19(10-8-18)17-33-20-21(29(2)25(36)30(3)22(20)34)28-24(33)31-15-11-26(12-16-31,23(27)35)32-13-5-4-6-14-32/h7-10H,4-6,11-17H2,1-3H3,(H2,27,35)/p+1