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

Systemtic Name: 1-[2-(3-nitrophenoxy)ethyl]-4-(phenylmethyl)piperazin-4-ium Openeye Name: 1-benzyl-4-[2-(3-nitrophenoxy)ethyl]piperazin-1-ium CAS Name: 1-[2-(3-nitrophenoxy)ethyl]-4-(phenylmethyl)piperazin-4-ium IUPAC Name: 1-benzyl-4-[2-(3-nitrophenoxy)ethyl]piperazin-1-ium Traditional Name: 1-benzyl-4-[2-(3-nitrophenoxy)ethyl]piperazin-1-ium Formula: C19H24N3O3+ MolecularWeight: 342.41216

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)CCOC3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)CCOC3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H23N3O3/c23-22(24)18-7-4-8-19(15-18)25-14-13-20-9-11-21(12-10-20)16-17-5-2-1-3-6-17/h1-8,15H,9-14,16H2/p+1