1-[(2-propylpyrimidin-5-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2-propylpyrimidin-5-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[(2-propylpyrimidin-5-yl)methyl]-N-[4-(3-pyridyloxy)phenyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(2-propyl-5-pyrimidinyl)methyl]-N-[4-(3-pyridinyloxy)phenyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2-propylpyrimidin-5-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-[(2-propylpyrimidin-5-yl)methyl]-N-[4-(3-pyridyloxy)phenyl]piperidin-1-ium-4-carboxamide Formula: C25H30N5O2+ MolecularWeight: 432.538

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC=C(C=N1)C[NH+]2CCC(CC2)C(=O)NC3=CC=C(C=C3)OC4=CN=CC=C4

Isomeric SMILES

CCCC1=NC=C(C=N1)C[NH+]2CCC(CC2)C(=O)NC3=CC=C(C=C3)OC4=CN=CC=C4

InChI

InChI=1S/C25H29N5O2/c1-2-4-24-27-15-19(16-28-24)18-30-13-10-20(11-14-30)25(31)29-21-6-8-22(9-7-21)32-23-5-3-12-26-17-23/h3,5-9,12,15-17,20H,2,4,10-11,13-14,18H2,1H3,(H,29,31)/p+1