1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-4-(2-ethoxyphenyl)piperazin-1-ium

Systemtic Name: 1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-4-(2-ethoxyphenyl)piperazin-1-ium Openeye Name: 1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-4-(2-ethoxyphenyl)piperazin-1-ium CAS Name: 1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-4-(2-ethoxyphenyl)piperazin-1-ium IUPAC Name: 1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-4-(2-ethoxyphenyl)piperazin-1-ium Traditional Name: 1-(4,5-dimethoxy-2-nitro-benzyl)-4-o-phenetyl-piperazin-1-ium Formula: C21H28N3O5+ MolecularWeight: 402.46412

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC(=C(C=C3[N+](=O)[O-])OC)OC

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC(=C(C=C3[N+](=O)[O-])OC)OC

InChI

InChI=1S/C21H27N3O5/c1-4-29-19-8-6-5-7-17(19)23-11-9-22(10-12-23)15-16-13-20(27-2)21(28-3)14-18(16)24(25)26/h5-8,13-14H,4,9-12,15H2,1-3H3/p+1