1-[(5-methylfuran-2-yl)methyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(5-methylfuran-2-yl)methyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(5-methyl-2-furyl)methyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(5-methyl-2-furanyl)methyl]-N-[3-(1H-pyrazol-5-yl)phenyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(5-methylfuran-2-yl)methyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(5-methyl-2-furyl)methyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-4-carboxamide Formula: C21H25N4O2+ MolecularWeight: 365.4488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC(=C3)C4=CC=NN4

Isomeric SMILES

CC1=CC=C(O1)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC(=C3)C4=CC=NN4

InChI

InChI=1S/C21H24N4O2/c1-15-5-6-19(27-15)14-25-11-8-16(9-12-25)21(26)23-18-4-2-3-17(13-18)20-7-10-22-24-20/h2-7,10,13,16H,8-9,11-12,14H2,1H3,(H,22,24)(H,23,26)/p+1