1-(4,6-dimethylpyrimidin-2-yl)-1-[1-(4-methoxyphenyl)ethyl]piperidin-1-ium-3-carboxamide

Systemtic Name: 1-(4,6-dimethylpyrimidin-2-yl)-1-[1-(4-methoxyphenyl)ethyl]piperidin-1-ium-3-carboxamide Openeye Name: 1-(4,6-dimethylpyrimidin-2-yl)-1-[1-(4-methoxyphenyl)ethyl]piperidin-1-ium-3-carboxamide CAS Name: 1-(4,6-dimethyl-2-pyrimidinyl)-1-[1-(4-methoxyphenyl)ethyl]-3-piperidin-1-iumcarboxamide IUPAC Name: 1-(4,6-dimethylpyrimidin-2-yl)-1-[1-(4-methoxyphenyl)ethyl]piperidin-1-ium-3-carboxamide Traditional Name: 1-(4,6-dimethylpyrimidin-2-yl)-1-[1-(4-methoxyphenyl)ethyl]piperidin-1-ium-3-carboxamide Formula: C21H29N4O2+ MolecularWeight: 369.48056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)[N+]2(CCCC(C2)C(=O)N)C(C)C3=CC=C(C=C3)OC)C

Isomeric SMILES

CC1=CC(=NC(=N1)[N+]2(CCCC(C2)C(=O)N)C(C)C3=CC=C(C=C3)OC)C

InChI

InChI=1S/C21H28N4O2/c1-14-12-15(2)24-21(23-14)25(11-5-6-18(13-25)20(22)26)16(3)17-7-9-19(27-4)10-8-17/h7-10,12,16,18H,5-6,11,13H2,1-4H3,(H-,22,26)/p+1