N-[[(3R)-1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperidin-1-ium-3-yl]methyl]-3-phenyl-propanamide

Systemtic Name: N-[[(3R)-1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperidin-1-ium-3-yl]methyl]-3-phenyl-propanamide Openeye Name: N-[[(3R)-1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperidin-1-ium-3-yl]methyl]-3-phenyl-propanamide CAS Name: N-[[(3R)-1-[[2-(4-methoxyphenyl)-5-pyrimidinyl]methyl]-3-piperidin-1-iumyl]methyl]-3-phenylpropanamide IUPAC Name: N-[[(3R)-1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperidin-1-ium-3-yl]methyl]-3-phenylpropanamide Traditional Name: N-[[(3R)-1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperidin-1-ium-3-yl]methyl]-3-phenyl-propionamide Formula: C27H33N4O2+ MolecularWeight: 445.57652

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC=C(C=N2)C[NH+]3CCCC(C3)CNC(=O)CCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC=C(C=N2)C[NH+]3CCC[C@@H](C3)CNC(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C27H32N4O2/c1-33-25-12-10-24(11-13-25)27-29-17-23(18-30-27)20-31-15-5-8-22(19-31)16-28-26(32)14-9-21-6-3-2-4-7-21/h2-4,6-7,10-13,17-18,22H,5,8-9,14-16,19-20H2,1H3,(H,28,32)/p+1/t22-/m1/s1