1-[(3,5-dimethoxyphenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazin-4-ium

Systemtic Name: 1-[(3,5-dimethoxyphenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazin-4-ium Openeye Name: 1-[(3,5-dimethoxyphenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazin-4-ium CAS Name: 1-[(3,5-dimethoxyphenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazin-4-ium IUPAC Name: 1-[(3,5-dimethoxyphenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazin-4-ium Traditional Name: 1-(3,5-dimethoxybenzyl)-4-(3-nitrobenzyl)piperazin-4-ium Formula: C20H26N3O4+ MolecularWeight: 372.43814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O4/c1-26-19-11-17(12-20(13-19)27-2)15-22-8-6-21(7-9-22)14-16-4-3-5-18(10-16)23(24)25/h3-5,10-13H,6-9,14-15H2,1-2H3/p+1