4-oxidanylidene-6-[[(2R)-2-[4-[(4-phenylpiperidin-1-ium-1-yl)methyl]phenoxy]propyl]carbamoyl]-1H-pyrimidin-2-olate

Systemtic Name: 4-oxidanylidene-6-[[(2R)-2-[4-[(4-phenylpiperidin-1-ium-1-yl)methyl]phenoxy]propyl]carbamoyl]-1H-pyrimidin-2-olate Openeye Name: 4-oxo-6-[[(2R)-2-[4-[(4-phenylpiperidin-1-ium-1-yl)methyl]phenoxy]propyl]carbamoyl]-1H-pyrimidin-2-olate CAS Name: 4-oxo-6-[oxo-[[(2R)-2-[4-[(4-phenyl-1-piperidin-1-iumyl)methyl]phenoxy]propyl]amino]methyl]-1H-pyrimidin-2-olate IUPAC Name: 4-oxo-6-[[(2R)-2-[4-[(4-phenylpiperidin-1-ium-1-yl)methyl]phenoxy]propyl]carbamoyl]-1H-pyrimidin-2-olate Traditional Name: 4-keto-6-[[(2R)-2-[4-[(4-phenylpiperidin-1-ium-1-yl)methyl]phenoxy]propyl]carbamoyl]-1H-pyrimidin-2-olate Formula: C26H30N4O4 MolecularWeight: 462.5408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C1=CC(=O)N=C(N1)[O-])OC2=CC=C(C=C2)C[NH+]3CCC(CC3)C4=CC=CC=C4

Isomeric SMILES

C[C@H](CNC(=O)C1=CC(=O)N=C(N1)[O-])OC2=CC=C(C=C2)C[NH+]3CCC(CC3)C4=CC=CC=C4

InChI

InChI=1S/C26H30N4O4/c1-18(16-27-25(32)23-15-24(31)29-26(33)28-23)34-22-9-7-19(8-10-22)17-30-13-11-21(12-14-30)20-5-3-2-4-6-20/h2-10,15,18,21H,11-14,16-17H2,1H3,(H,27,32)(H2,28,29,31,33)/t18-/m1/s1