6-ethyl-2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]-1H-pyrimidin-4-one

Systemtic Name: 6-ethyl-2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]-1H-pyrimidin-4-one Openeye Name: 2-[(1-benzylpiperidin-1-ium-4-yl)amino]-6-ethyl-1H-pyrimidin-4-one CAS Name: 6-ethyl-2-[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]-1H-pyrimidin-4-one IUPAC Name: 2-[(1-benzylpiperidin-1-ium-4-yl)amino]-6-ethyl-1H-pyrimidin-4-one Traditional Name: 2-[(1-benzylpiperidin-1-ium-4-yl)amino]-6-ethyl-1H-pyrimidin-4-one Formula: C18H25N4O+ MolecularWeight: 313.4173

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)N=C(N1)NC2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CCC1=CC(=O)N=C(N1)NC2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C18H24N4O/c1-2-15-12-17(23)21-18(19-15)20-16-8-10-22(11-9-16)13-14-6-4-3-5-7-14/h3-7,12,16H,2,8-11,13H2,1H3,(H2,19,20,21,23)/p+1