2-azanyl-N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-1-ium-4-yl]methyl]-N,6-dimethyl-pyrimidine-4-carboxamide

Systemtic Name: 2-azanyl-N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-1-ium-4-yl]methyl]-N,6-dimethyl-pyrimidine-4-carboxamide Openeye Name: 2-amino-N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-1-ium-4-yl]methyl]-N,6-dimethyl-pyrimidine-4-carboxamide CAS Name: 2-amino-N-[[1-[2-(2-fluorophenyl)ethyl]-4-piperidin-1-iumyl]methyl]-N,6-dimethyl-4-pyrimidinecarboxamide IUPAC Name: 2-amino-N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-1-ium-4-yl]methyl]-N,6-dimethylpyrimidine-4-carboxamide Traditional Name: 2-amino-N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-1-ium-4-yl]methyl]-N,6-dimethyl-pyrimidine-4-carboxamide Formula: C21H29FN5O+ MolecularWeight: 386.486263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C(=O)N(C)CC2CC[NH+](CC2)CCC3=CC=CC=C3F)N

Isomeric SMILES

CC1=NC(=NC(=C1)C(=O)N(C)CC2CC[NH+](CC2)CCC3=CC=CC=C3F)N

InChI

InChI=1S/C21H28FN5O/c1-15-13-19(25-21(23)24-15)20(28)26(2)14-16-7-10-27(11-8-16)12-9-17-5-3-4-6-18(17)22/h3-6,13,16H,7-12,14H2,1-2H3,(H2,23,24,25)/p+1