2,6-dimethoxy-4-[[4-[(3-nitrophenyl)methyl]piperazin-4-ium-1-yl]methyl]phenol

Systemtic Name: 2,6-dimethoxy-4-[[4-[(3-nitrophenyl)methyl]piperazin-4-ium-1-yl]methyl]phenol Openeye Name: 2,6-dimethoxy-4-[[4-[(3-nitrophenyl)methyl]piperazin-4-ium-1-yl]methyl]phenol CAS Name: 2,6-dimethoxy-4-[[4-[(3-nitrophenyl)methyl]-1-piperazin-4-iumyl]methyl]phenol IUPAC Name: 2,6-dimethoxy-4-[[4-[(3-nitrophenyl)methyl]piperazin-4-ium-1-yl]methyl]phenol Traditional Name: 2,6-dimethoxy-4-[[4-(3-nitrobenzyl)piperazin-4-ium-1-yl]methyl]phenol Formula: C20H26N3O5+ MolecularWeight: 388.43754

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)CN2CC[NH+](CC2)CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)CN2CC[NH+](CC2)CC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O5/c1-27-18-11-16(12-19(28-2)20(18)24)14-22-8-6-21(7-9-22)13-15-4-3-5-17(10-15)23(25)26/h3-5,10-12,24H,6-9,13-14H2,1-2H3/p+1