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

Systemtic Name: 1-[(2,4-dimethoxyphenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazin-4-ium Openeye Name: 1-[(2,4-dimethoxyphenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazin-4-ium CAS Name: 1-[(2,4-dimethoxyphenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazin-4-ium IUPAC Name: 1-[(2,4-dimethoxyphenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazin-4-ium Traditional Name: 1-(2,4-dimethoxybenzyl)-4-(3-nitrobenzyl)piperazin-4-ium Formula: C20H26N3O4+ MolecularWeight: 372.43814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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