(3S)-1-[(2-methylpyrimidin-5-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[(2-methylpyrimidin-5-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(2-methylpyrimidin-5-yl)methyl]-N-[2-(3-pyridyloxy)phenyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(2-methyl-5-pyrimidinyl)methyl]-N-[2-(3-pyridinyloxy)phenyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(2-methylpyrimidin-5-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[(2-methylpyrimidin-5-yl)methyl]-N-[2-(3-pyridyloxy)phenyl]piperidin-1-ium-3-carboxamide Formula: C23H26N5O2+ MolecularWeight: 404.48484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=N1)C[NH+]2CCCC(C2)C(=O)NC3=CC=CC=C3OC4=CN=CC=C4

Isomeric SMILES

CC1=NC=C(C=N1)C[NH+]2CCC[C@@H](C2)C(=O)NC3=CC=CC=C3OC4=CN=CC=C4

InChI

InChI=1S/C23H25N5O2/c1-17-25-12-18(13-26-17)15-28-11-5-6-19(16-28)23(29)27-21-8-2-3-9-22(21)30-20-7-4-10-24-14-20/h2-4,7-10,12-14,19H,5-6,11,15-16H2,1H3,(H,27,29)/p+1/t19-/m0/s1