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

Systemtic Name: (4-nitrophenyl)-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (4-nitrophenyl)-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (4-nitrophenyl)-[4-[(2,4,5-trimethoxyphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (4-nitrophenyl)-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (4-nitrophenyl)-[4-(2,4,5-trimethoxybenzyl)piperazin-4-ium-1-yl]methanone Formula: C21H26N3O6+ MolecularWeight: 416.44764

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C21H25N3O6/c1-28-18-13-20(30-3)19(29-2)12-16(18)14-22-8-10-23(11-9-22)21(25)15-4-6-17(7-5-15)24(26)27/h4-7,12-13H,8-11,14H2,1-3H3/p+1