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

Systemtic Name: 1-[[5-(methoxymethyl)furan-2-yl]methyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[[5-(methoxymethyl)-2-furyl]methyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[[5-(methoxymethyl)-2-furanyl]methyl]-N-[3-(1H-pyrazol-5-yl)phenyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[[5-(methoxymethyl)furan-2-yl]methyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[[5-(methoxymethyl)-2-furyl]methyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-4-carboxamide Formula: C22H27N4O3+ MolecularWeight: 395.47478

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=CC=C(O1)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC(=C3)C4=CC=NN4

Isomeric SMILES

COCC1=CC=C(O1)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC(=C3)C4=CC=NN4

InChI

InChI=1S/C22H26N4O3/c1-28-15-20-6-5-19(29-20)14-26-11-8-16(9-12-26)22(27)24-18-4-2-3-17(13-18)21-7-10-23-25-21/h2-7,10,13,16H,8-9,11-12,14-15H2,1H3,(H,23,25)(H,24,27)/p+1