9-methyl-7-(phenylmethyl)-2-piperidin-1-yl-3H-purin-9-ium-6-one

Systemtic Name: 9-methyl-7-(phenylmethyl)-2-piperidin-1-yl-3H-purin-9-ium-6-one Openeye Name: 7-benzyl-9-methyl-2-(1-piperidyl)-3H-purin-9-ium-6-one CAS Name: 9-methyl-7-(phenylmethyl)-2-(1-piperidinyl)-3H-purin-9-ium-6-one IUPAC Name: 7-benzyl-9-methyl-2-piperidin-1-yl-3H-purin-9-ium-6-one Traditional Name: 7-benzyl-9-methyl-2-piperidino-3H-purin-9-ium-6-one Formula: C18H22N5O+ MolecularWeight: 324.40018

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C2=C1NC(=NC2=O)N3CCCCC3)CC4=CC=CC=C4

Isomeric SMILES

C[N+]1=CN(C2=C1NC(=NC2=O)N3CCCCC3)CC4=CC=CC=C4

InChI

InChI=1S/C18H21N5O/c1-21-13-23(12-14-8-4-2-5-9-14)15-16(21)19-18(20-17(15)24)22-10-6-3-7-11-22/h2,4-5,8-9,13H,3,6-7,10-12H2,1H3/p+1