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

Systemtic Name: [4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-4-ium-1-yl]-(3-methyl-2-nitro-phenyl)methanone Openeye Name: [4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-4-ium-1-yl]-(3-methyl-2-nitro-phenyl)methanone CAS Name: [4-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-piperazin-4-iumyl]-(3-methyl-2-nitrophenyl)methanone IUPAC Name: [4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-4-ium-1-yl]-(3-methyl-2-nitrophenyl)methanone Traditional Name: [4-(4,5-dimethoxy-2-methyl-benzyl)piperazin-4-ium-1-yl]-(3-methyl-2-nitro-phenyl)methanone Formula: C22H28N3O5+ MolecularWeight: 414.47482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3C)OC)OC

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3C)OC)OC

InChI

InChI=1S/C22H27N3O5/c1-15-6-5-7-18(21(15)25(27)28)22(26)24-10-8-23(9-11-24)14-17-13-20(30-4)19(29-3)12-16(17)2/h5-7,12-13H,8-11,14H2,1-4H3/p+1