1-(2,3-dimethylphenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium

Systemtic Name: 1-(2,3-dimethylphenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium Openeye Name: 1-(2,3-dimethylphenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium CAS Name: 1-(2,3-dimethylphenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium IUPAC Name: 1-(2,3-dimethylphenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium Traditional Name: 1-(2,3-dimethylphenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium Formula: C20H24N3O4+ MolecularWeight: 370.42226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=CC4=C(C=C3[N+](=O)[O-])OCO4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=CC4=C(C=C3[N+](=O)[O-])OCO4)C

InChI

InChI=1S/C20H23N3O4/c1-14-4-3-5-17(15(14)2)22-8-6-21(7-9-22)12-16-10-19-20(27-13-26-19)11-18(16)23(24)25/h3-5,10-11H,6-9,12-13H2,1-2H3/p+1