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

Systemtic Name: 1-[4-[(4,5-dimethoxy-2-nitro-phenyl)methyl]piperazin-4-ium-1-yl]-3-methyl-butan-1-one Openeye Name: 1-[4-[(4,5-dimethoxy-2-nitro-phenyl)methyl]piperazin-4-ium-1-yl]-3-methyl-butan-1-one CAS Name: 1-[4-[(4,5-dimethoxy-2-nitrophenyl)methyl]-1-piperazin-4-iumyl]-3-methyl-1-butanone IUPAC Name: 1-[4-[(4,5-dimethoxy-2-nitrophenyl)methyl]piperazin-4-ium-1-yl]-3-methylbutan-1-one Traditional Name: 1-[4-(4,5-dimethoxy-2-nitro-benzyl)piperazin-4-ium-1-yl]-3-methyl-butan-1-one Formula: C18H28N3O5+ MolecularWeight: 366.43202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CC[NH+](CC1)CC2=CC(=C(C=C2[N+](=O)[O-])OC)OC

Isomeric SMILES

CC(C)CC(=O)N1CC[NH+](CC1)CC2=CC(=C(C=C2[N+](=O)[O-])OC)OC

InChI

InChI=1S/C18H27N3O5/c1-13(2)9-18(22)20-7-5-19(6-8-20)12-14-10-16(25-3)17(26-4)11-15(14)21(23)24/h10-11,13H,5-9,12H2,1-4H3/p+1