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1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-4-(2,3-dimethylphenyl)piperazin-1-ium

1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-4-(2,3-dimethylphenyl)piperazin-1-ium

Systemtic Name:1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-4-(2,3-dimethylphenyl)piperazin-1-ium
Openeye Name:1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-4-(2,3-dimethylphenyl)piperazin-1-ium
CAS Name:1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-4-(2,3-dimethylphenyl)piperazin-1-ium
IUPAC Name:1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-4-(2,3-dimethylphenyl)piperazin-1-ium
Traditional Name:1-(4,5-dimethoxy-2-nitro-benzyl)-4-(2,3-dimethylphenyl)piperazin-1-ium
Formula: C21H28N3O4+
MolecularWeight: 386.46472
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=CC(=C(C=C3[N+](=O)[O-])OC)OC)C


Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=CC(=C(C=C3[N+](=O)[O-])OC)OC)C


InChI

InChI=1S/C21H27N3O4/c1-15-6-5-7-18(16(15)2)23-10-8-22(9-11-23)14-17-12-20(27-3)21(28-4)13-19(17)24(25)26/h5-7,12-13H,8-11,14H2,1-4H3/p+1


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