(2S)-1-[[5-(methoxymethyl)furan-2-yl]methyl]-N-(4-pyridin-3-yloxyphenyl)piperidin-1-ium-2-carboxamide

Systemtic Name: (2S)-1-[[5-(methoxymethyl)furan-2-yl]methyl]-N-(4-pyridin-3-yloxyphenyl)piperidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[[5-(methoxymethyl)-2-furyl]methyl]-N-[4-(3-pyridyloxy)phenyl]piperidin-1-ium-2-carboxamide CAS Name: (2S)-1-[[5-(methoxymethyl)-2-furanyl]methyl]-N-[4-(3-pyridinyloxy)phenyl]-2-piperidin-1-iumcarboxamide IUPAC Name: (2S)-1-[[5-(methoxymethyl)furan-2-yl]methyl]-N-(4-pyridin-3-yloxyphenyl)piperidin-1-ium-2-carboxamide Traditional Name: (2S)-1-[[5-(methoxymethyl)-2-furyl]methyl]-N-[4-(3-pyridyloxy)phenyl]piperidin-1-ium-2-carboxamide Formula: C24H28N3O4+ MolecularWeight: 422.49682

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=CC=C(O1)C[NH+]2CCCCC2C(=O)NC3=CC=C(C=C3)OC4=CN=CC=C4

Isomeric SMILES

COCC1=CC=C(O1)C[NH+]2CCCC[C@H]2C(=O)NC3=CC=C(C=C3)OC4=CN=CC=C4

InChI

InChI=1S/C24H27N3O4/c1-29-17-22-12-11-21(31-22)16-27-14-3-2-6-23(27)24(28)26-18-7-9-19(10-8-18)30-20-5-4-13-25-15-20/h4-5,7-13,15,23H,2-3,6,14,16-17H2,1H3,(H,26,28)/p+1/t23-/m0/s1