1-[(2S)-3-(furan-2-ylmethoxy)-2-oxidanyl-propyl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2S)-3-(furan-2-ylmethoxy)-2-oxidanyl-propyl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-benzyl-1-[(2S)-3-(2-furylmethoxy)-2-hydroxy-propyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(2S)-3-(2-furanylmethoxy)-2-hydroxypropyl]-N-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-benzyl-1-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]piperidin-1-ium-4-carboxamide Traditional Name: N-benzyl-1-[(2S)-3-(2-furfuryloxy)-2-hydroxy-propyl]piperidin-1-ium-4-carboxamide Formula: C21H29N2O4+ MolecularWeight: 373.46596

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NCC2=CC=CC=C2)CC(COCC3=CC=CO3)O

Isomeric SMILES

C1C[NH+](CCC1C(=O)NCC2=CC=CC=C2)C[C@@H](COCC3=CC=CO3)O

InChI

InChI=1S/C21H28N2O4/c24-19(15-26-16-20-7-4-12-27-20)14-23-10-8-18(9-11-23)21(25)22-13-17-5-2-1-3-6-17/h1-7,12,18-19,24H,8-11,13-16H2,(H,22,25)/p+1/t19-/m0/s1