(2,6-dimethoxyphenyl)-[4-[(2-nitrophenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (2,6-dimethoxyphenyl)-[4-[(2-nitrophenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (2,6-dimethoxyphenyl)-[4-[(2-nitrophenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (2,6-dimethoxyphenyl)-[4-[(2-nitrophenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (2,6-dimethoxyphenyl)-[4-[(2-nitrophenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (2,6-dimethoxyphenyl)-[4-(2-nitrobenzyl)piperazin-4-ium-1-yl]methanone Formula: C20H24N3O5+ MolecularWeight: 386.42166

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O5/c1-27-17-8-5-9-18(28-2)19(17)20(24)22-12-10-21(11-13-22)14-15-6-3-4-7-16(15)23(25)26/h3-9H,10-14H2,1-2H3/p+1