9-(2-piperidin-1-ium-1-ylethyl)-1-(piperidin-1-ium-1-ylmethyl)purin-6-one

Systemtic Name: 9-(2-piperidin-1-ium-1-ylethyl)-1-(piperidin-1-ium-1-ylmethyl)purin-6-one Openeye Name: 9-(2-piperidin-1-ium-1-ylethyl)-1-(piperidin-1-ium-1-ylmethyl)purin-6-one CAS Name: 9-[2-(1-piperidin-1-iumyl)ethyl]-1-(1-piperidin-1-iumylmethyl)-6-purinone IUPAC Name: 9-(2-piperidin-1-ium-1-ylethyl)-1-(piperidin-1-ium-1-ylmethyl)purin-6-one Traditional Name: 9-(2-piperidin-1-ium-1-ylethyl)-1-(piperidin-1-ium-1-ylmethyl)purin-6-one Formula: C18H30N6O+2 MolecularWeight: 346.4704

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCN2C=NC3=C2N=CN(C3=O)C[NH+]4CCCCC4

Isomeric SMILES

C1CC[NH+](CC1)CCN2C=NC3=C2N=CN(C3=O)C[NH+]4CCCCC4

InChI

InChI=1S/C18H28N6O/c25-18-16-17(20-14-24(18)15-22-9-5-2-6-10-22)23(13-19-16)12-11-21-7-3-1-4-8-21/h13-14H,1-12,15H2/p+2