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

Systemtic Name: N-[3-(3-fluorophenyl)phenyl]-1-[(2-propylpyrimidin-5-yl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-[3-(3-fluorophenyl)phenyl]-1-[(2-propylpyrimidin-5-yl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-[3-(3-fluorophenyl)phenyl]-1-[(2-propyl-5-pyrimidinyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[3-(3-fluorophenyl)phenyl]-1-[(2-propylpyrimidin-5-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-[3-(3-fluorophenyl)phenyl]-1-[(2-propylpyrimidin-5-yl)methyl]piperidin-1-ium-4-carboxamide Formula: C26H30FN4O+ MolecularWeight: 433.541003

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC=C(C=N1)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC(=C3)C4=CC(=CC=C4)F

Isomeric SMILES

CCCC1=NC=C(C=N1)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC(=C3)C4=CC(=CC=C4)F

InChI

InChI=1S/C26H29FN4O/c1-2-5-25-28-16-19(17-29-25)18-31-12-10-20(11-13-31)26(32)30-24-9-4-7-22(15-24)21-6-3-8-23(27)14-21/h3-4,6-9,14-17,20H,2,5,10-13,18H2,1H3,(H,30,32)/p+1