(4-ethoxy-3-nitro-phenyl)-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (4-ethoxy-3-nitro-phenyl)-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (4-ethoxy-3-nitro-phenyl)-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (4-ethoxy-3-nitrophenyl)-[4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (4-ethoxy-3-nitrophenyl)-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (4-ethoxy-3-nitro-phenyl)-(4-p-anisylpiperazin-4-ium-1-yl)methanone Formula: C21H26N3O5+ MolecularWeight: 400.44824

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O5/c1-3-29-20-9-6-17(14-19(20)24(26)27)21(25)23-12-10-22(11-13-23)15-16-4-7-18(28-2)8-5-16/h4-9,14H,3,10-13,15H2,1-2H3/p+1