6-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride

Systemtic Name: 6-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride Openeye Name: 6-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-(1-piperidyl)-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride CAS Name: 6-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-(1-piperidinyl)-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride IUPAC Name: 6-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride Traditional Name: 6-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-piperidino-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride Formula: C21H27ClN4O MolecularWeight: 386.91828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)N3CCCCC3)[NH2+]C(=C2)CCC4=CC=C(C=C4)OC.[Cl-]

Isomeric SMILES

CC1=NC2=C(C(=N1)N3CCCCC3)[NH2+]C(=C2)CCC4=CC=C(C=C4)OC.[Cl-]

InChI

InChI=1S/C21H26N4O.ClH/c1-15-22-19-14-17(9-6-16-7-10-18(26-2)11-8-16)24-20(19)21(23-15)25-12-4-3-5-13-25;/h7-8,10-11,14,24H,3-6,9,12-13H2,1-2H3;1H