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

Systemtic Name: N-[2-(3-methoxyphenyl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-[2-(3-methoxyphenyl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-[2-(3-methoxyphenyl)phenyl]-1-[(2-methyl-5-pyrimidinyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[2-(3-methoxyphenyl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-[2-(3-methoxyphenyl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidin-1-ium-4-carboxamide Formula: C25H29N4O2+ MolecularWeight: 417.52336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=N1)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3C4=CC(=CC=C4)OC

Isomeric SMILES

CC1=NC=C(C=N1)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3C4=CC(=CC=C4)OC

InChI

InChI=1S/C25H28N4O2/c1-18-26-15-19(16-27-18)17-29-12-10-20(11-13-29)25(30)28-24-9-4-3-8-23(24)21-6-5-7-22(14-21)31-2/h3-9,14-16,20H,10-13,17H2,1-2H3,(H,28,30)/p+1