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

Systemtic Name: 1-[(2S)-3-(3-nitrophenoxy)-2-oxidanyl-propyl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-benzyl-1-[(2S)-2-hydroxy-3-(3-nitrophenoxy)propyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(2S)-2-hydroxy-3-(3-nitrophenoxy)propyl]-N-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-benzyl-1-[(2S)-2-hydroxy-3-(3-nitrophenoxy)propyl]piperidin-1-ium-4-carboxamide Traditional Name: N-benzyl-1-[(2S)-2-hydroxy-3-(3-nitrophenoxy)propyl]piperidin-1-ium-4-carboxamide Formula: C22H28N3O5+ MolecularWeight: 414.47482

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NCC2=CC=CC=C2)CC(COC3=CC=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

C1C[NH+](CCC1C(=O)NCC2=CC=CC=C2)C[C@@H](COC3=CC=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C22H27N3O5/c26-20(16-30-21-8-4-7-19(13-21)25(28)29)15-24-11-9-18(10-12-24)22(27)23-14-17-5-2-1-3-6-17/h1-8,13,18,20,26H,9-12,14-16H2,(H,23,27)/p+1/t20-/m0/s1