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

Systemtic Name: N-[3-(furan-2-yl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-[3-(2-furyl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-[3-(2-furanyl)phenyl]-1-[(2-methyl-5-pyrimidinyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[3-(furan-2-yl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-[3-(2-furyl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidin-1-ium-4-carboxamide Formula: C22H25N4O2+ MolecularWeight: 377.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=N1)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC(=C3)C4=CC=CO4

Isomeric SMILES

CC1=NC=C(C=N1)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC(=C3)C4=CC=CO4

InChI

InChI=1S/C22H24N4O2/c1-16-23-13-17(14-24-16)15-26-9-7-18(8-10-26)22(27)25-20-5-2-4-19(12-20)21-6-3-11-28-21/h2-6,11-14,18H,7-10,15H2,1H3,(H,25,27)/p+1