(3S)-1-[[5-(methoxymethyl)furan-2-yl]methyl]-N-(3-pyrazol-1-ylphenyl)piperidin-1-ium-3-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=CC=C(O1)C[NH+]2CCCC(C2)C(=O)NC3=CC=CC(=C3)N4C=CC=N4

Isomeric SMILES

COCC1=CC=C(O1)C[NH+]2CCC[C@@H](C2)C(=O)NC3=CC=CC(=C3)N4C=CC=N4

InChI

InChI=1S/C22H26N4O3/c1-28-16-21-9-8-20(29-21)15-25-11-3-5-17(14-25)22(27)24-18-6-2-7-19(13-18)26-12-4-10-23-26/h2,4,6-10,12-13,17H,3,5,11,14-16H2,1H3,(H,24,27)/p+1/t17-/m0/s1