1-[2-(3-nitrophenoxy)ethyl]-4-(phenylmethyl)piperidin-1-ium

Systemtic Name: 1-[2-(3-nitrophenoxy)ethyl]-4-(phenylmethyl)piperidin-1-ium Openeye Name: 4-benzyl-1-[2-(3-nitrophenoxy)ethyl]piperidin-1-ium CAS Name: 1-[2-(3-nitrophenoxy)ethyl]-4-(phenylmethyl)piperidin-1-ium IUPAC Name: 4-benzyl-1-[2-(3-nitrophenoxy)ethyl]piperidin-1-ium Traditional Name: 4-benzyl-1-[2-(3-nitrophenoxy)ethyl]piperidin-1-ium Formula: C20H25N2O3+ MolecularWeight: 341.4241

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)CCOC3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)CCOC3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H24N2O3/c23-22(24)19-7-4-8-20(16-19)25-14-13-21-11-9-18(10-12-21)15-17-5-2-1-3-6-17/h1-8,16,18H,9-15H2/p+1