1-[(2-methoxyphenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazin-4-ium

Systemtic Name: 1-[(2-methoxyphenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazin-4-ium Openeye Name: 1-[(2-methoxyphenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazin-4-ium CAS Name: 1-[(2-methoxyphenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazin-4-ium IUPAC Name: 1-[(2-methoxyphenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazin-4-ium Traditional Name: 1-(3-nitrobenzyl)-4-o-anisyl-piperazin-1-ium Formula: C19H24N3O3+ MolecularWeight: 342.41216

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CN2CC[NH+](CC2)CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1CN2CC[NH+](CC2)CC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H23N3O3/c1-25-19-8-3-2-6-17(19)15-21-11-9-20(10-12-21)14-16-5-4-7-18(13-16)22(23)24/h2-8,13H,9-12,14-15H2,1H3/p+1