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

Systemtic Name: 1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-4-(2-methylphenyl)piperazin-1-ium Openeye Name: 1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-4-(o-tolyl)piperazin-1-ium CAS Name: 1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-4-(2-methylphenyl)piperazin-1-ium IUPAC Name: 1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-4-(2-methylphenyl)piperazin-1-ium Traditional Name: 1-(4,5-dimethoxy-2-nitro-benzyl)-4-(o-tolyl)piperazin-1-ium Formula: C20H26N3O4+ MolecularWeight: 372.43814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC(=C(C=C3[N+](=O)[O-])OC)OC

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC(=C(C=C3[N+](=O)[O-])OC)OC

InChI

InChI=1S/C20H25N3O4/c1-15-6-4-5-7-17(15)22-10-8-21(9-11-22)14-16-12-19(26-2)20(27-3)13-18(16)23(24)25/h4-7,12-13H,8-11,14H2,1-3H3/p+1