1-[(2-ethylpyrimidin-5-yl)methyl]-N-[2-(3-methoxyphenyl)phenyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2-ethylpyrimidin-5-yl)methyl]-N-[2-(3-methoxyphenyl)phenyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(2-ethylpyrimidin-5-yl)methyl]-N-[2-(3-methoxyphenyl)phenyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(2-ethyl-5-pyrimidinyl)methyl]-N-[2-(3-methoxyphenyl)phenyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2-ethylpyrimidin-5-yl)methyl]-N-[2-(3-methoxyphenyl)phenyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(2-ethylpyrimidin-5-yl)methyl]-N-[2-(3-methoxyphenyl)phenyl]piperidin-1-ium-4-carboxamide Formula: C26H31N4O2+ MolecularWeight: 431.54994

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC=C(C=N1)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3C4=CC(=CC=C4)OC

Isomeric SMILES

CCC1=NC=C(C=N1)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3C4=CC(=CC=C4)OC

InChI

InChI=1S/C26H30N4O2/c1-3-25-27-16-19(17-28-25)18-30-13-11-20(12-14-30)26(31)29-24-10-5-4-9-23(24)21-7-6-8-22(15-21)32-2/h4-10,15-17,20H,3,11-14,18H2,1-2H3,(H,29,31)/p+1