3-methyl-1-[4-[(2-nitrophenyl)methyl]piperazin-4-ium-1-yl]butan-1-one

Systemtic Name: 3-methyl-1-[4-[(2-nitrophenyl)methyl]piperazin-4-ium-1-yl]butan-1-one Openeye Name: 3-methyl-1-[4-[(2-nitrophenyl)methyl]piperazin-4-ium-1-yl]butan-1-one CAS Name: 3-methyl-1-[4-[(2-nitrophenyl)methyl]-1-piperazin-4-iumyl]-1-butanone IUPAC Name: 3-methyl-1-[4-[(2-nitrophenyl)methyl]piperazin-4-ium-1-yl]butan-1-one Traditional Name: 3-methyl-1-[4-(2-nitrobenzyl)piperazin-4-ium-1-yl]butan-1-one Formula: C16H24N3O3+ MolecularWeight: 306.38006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O3/c1-13(2)11-16(20)18-9-7-17(8-10-18)12-14-5-3-4-6-15(14)19(21)22/h3-6,13H,7-12H2,1-2H3/p+1