2-(4-nitrophenoxy)-N-[(3S)-1-(phenylmethyl)piperidin-1-ium-3-yl]ethanamide

Systemtic Name: 2-(4-nitrophenoxy)-N-[(3S)-1-(phenylmethyl)piperidin-1-ium-3-yl]ethanamide Openeye Name: N-[(3S)-1-benzylpiperidin-1-ium-3-yl]-2-(4-nitrophenoxy)acetamide CAS Name: 2-(4-nitrophenoxy)-N-[(3S)-1-(phenylmethyl)-3-piperidin-1-iumyl]acetamide IUPAC Name: N-[(3S)-1-benzylpiperidin-1-ium-3-yl]-2-(4-nitrophenoxy)acetamide Traditional Name: N-[(3S)-1-benzylpiperidin-1-ium-3-yl]-2-(4-nitrophenoxy)acetamide Formula: C20H24N3O4+ MolecularWeight: 370.42226

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CC=C2)NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CC=C2)NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O4/c24-20(15-27-19-10-8-18(9-11-19)23(25)26)21-17-7-4-12-22(14-17)13-16-5-2-1-3-6-16/h1-3,5-6,8-11,17H,4,7,12-15H2,(H,21,24)/p+1/t17-/m0/s1