5-methyl-2-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrimidin-1-ium-4-amine

Systemtic Name: 5-methyl-2-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrimidin-1-ium-4-amine Openeye Name: 5-methyl-2-[4-(3-pyridylmethoxy)-1-piperidyl]pyrimidin-1-ium-4-amine CAS Name: 5-methyl-2-[4-(3-pyridinylmethoxy)-1-piperidinyl]-4-pyrimidin-1-iumamine IUPAC Name: 5-methyl-2-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrimidin-1-ium-4-amine Traditional Name: [5-methyl-2-[4-(3-pyridylmethoxy)piperidino]pyrimidin-1-ium-4-yl]amine Formula: C16H22N5O+ MolecularWeight: 300.37878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[NH+]=C(N=C1N)N2CCC(CC2)OCC3=CN=CC=C3

Isomeric SMILES

CC1=C[NH+]=C(N=C1N)N2CCC(CC2)OCC3=CN=CC=C3

InChI

InChI=1S/C16H21N5O/c1-12-9-19-16(20-15(12)17)21-7-4-14(5-8-21)22-11-13-3-2-6-18-10-13/h2-3,6,9-10,14H,4-5,7-8,11H2,1H3,(H2,17,19,20)/p+1