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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC=C(C=N1)C[NH+]2CCCC(C2)C(=O)NC3=CC=CC=C3C4=CC=C(C=C4)OC

Isomeric SMILES

CCC1=NC=C(C=N1)C[NH+]2CCC[C@@H](C2)C(=O)NC3=CC=CC=C3C4=CC=C(C=C4)OC

InChI

InChI=1S/C26H30N4O2/c1-3-25-27-15-19(16-28-25)17-30-14-6-7-21(18-30)26(31)29-24-9-5-4-8-23(24)20-10-12-22(32-2)13-11-20/h4-5,8-13,15-16,21H,3,6-7,14,17-18H2,1-2H3,(H,29,31)/p+1/t21-/m0/s1