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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2CC[NH+](CC2)CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)CN2CC[NH+](CC2)CC3=CC(=CC=C3)[N+](=O)[O-]

InChI

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