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

Systemtic Name: (3S)-1-[(4,5-dimethylfuran-2-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(4,5-dimethyl-2-furyl)methyl]-N-[2-(3-pyridyloxy)phenyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(4,5-dimethyl-2-furanyl)methyl]-N-[2-(3-pyridinyloxy)phenyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(4,5-dimethylfuran-2-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[(4,5-dimethyl-2-furyl)methyl]-N-[2-(3-pyridyloxy)phenyl]piperidin-1-ium-3-carboxamide Formula: C24H28N3O3+ MolecularWeight: 406.49742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1)C[NH+]2CCCC(C2)C(=O)NC3=CC=CC=C3OC4=CN=CC=C4)C

Isomeric SMILES

CC1=C(OC(=C1)C[NH+]2CCC[C@@H](C2)C(=O)NC3=CC=CC=C3OC4=CN=CC=C4)C

InChI

InChI=1S/C24H27N3O3/c1-17-13-21(29-18(17)2)16-27-12-6-7-19(15-27)24(28)26-22-9-3-4-10-23(22)30-20-8-5-11-25-14-20/h3-5,8-11,13-14,19H,6-7,12,15-16H2,1-2H3,(H,26,28)/p+1/t19-/m0/s1