2,6-dimethyl-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-N-phenethyl-pyrimidine-4-carboxamide

Systemtic Name: 2,6-dimethyl-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-N-phenethyl-pyrimidine-4-carboxamide Openeye Name: 2,6-dimethyl-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-N-phenethyl-pyrimidine-4-carboxamide CAS Name: 2,6-dimethyl-N-[[(3R)-1-methyl-3-piperidin-1-iumyl]methyl]-N-phenethyl-4-pyrimidinecarboxamide IUPAC Name: 2,6-dimethyl-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-N-phenethylpyrimidine-4-carboxamide Traditional Name: 2,6-dimethyl-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-N-phenethyl-pyrimidine-4-carboxamide Formula: C22H31N4O+ MolecularWeight: 367.50774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C(=O)N(CCC2=CC=CC=C2)CC3CCC[NH+](C3)C)C

Isomeric SMILES

CC1=NC(=NC(=C1)C(=O)N(CCC2=CC=CC=C2)C[C@H]3CCC[NH+](C3)C)C

InChI

InChI=1S/C22H30N4O/c1-17-14-21(24-18(2)23-17)22(27)26(13-11-19-8-5-4-6-9-19)16-20-10-7-12-25(3)15-20/h4-6,8-9,14,20H,7,10-13,15-16H2,1-3H3/p+1/t20-/m0/s1