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

Systemtic Name: 3-methyl-1-[4-[(3-nitrophenyl)methyl]piperazin-4-ium-1-yl]butan-1-one Openeye Name: 3-methyl-1-[4-[(3-nitrophenyl)methyl]piperazin-4-ium-1-yl]butan-1-one CAS Name: 3-methyl-1-[4-[(3-nitrophenyl)methyl]-1-piperazin-4-iumyl]-1-butanone IUPAC Name: 3-methyl-1-[4-[(3-nitrophenyl)methyl]piperazin-4-ium-1-yl]butan-1-one Traditional Name: 3-methyl-1-[4-(3-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)10-16(20)18-8-6-17(7-9-18)12-14-4-3-5-15(11-14)19(21)22/h3-5,11,13H,6-10,12H2,1-2H3/p+1