1-[(2-nitrophenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-ium

Systemtic Name: 1-[(2-nitrophenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-ium Openeye Name: 1-[(2-nitrophenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-ium CAS Name: 1-[(2-nitrophenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-ium IUPAC Name: 1-[(2-nitrophenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-ium Traditional Name: 1-(2-nitrobenzyl)-4-(3,4,5-trimethoxybenzyl)piperazin-1-ium Formula: C21H28N3O5+ MolecularWeight: 402.46412

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CN2CC[NH+](CC2)CC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CN2CC[NH+](CC2)CC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H27N3O5/c1-27-19-12-16(13-20(28-2)21(19)29-3)14-22-8-10-23(11-9-22)15-17-6-4-5-7-18(17)24(25)26/h4-7,12-13H,8-11,14-15H2,1-3H3/p+1