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

Systemtic Name: 3-methyl-1-[4-(pyridin-1-ium-4-ylmethyl)piperazin-4-ium-1-yl]butan-1-one Openeye Name: 3-methyl-1-[4-(pyridin-1-ium-4-ylmethyl)piperazin-4-ium-1-yl]butan-1-one CAS Name: 3-methyl-1-[4-(4-pyridin-1-iumylmethyl)-1-piperazin-4-iumyl]-1-butanone IUPAC Name: 3-methyl-1-[4-(pyridin-1-ium-4-ylmethyl)piperazin-4-ium-1-yl]butan-1-one Traditional Name: 3-methyl-1-[4-(pyridin-1-ium-4-ylmethyl)piperazin-4-ium-1-yl]butan-1-one Formula: C15H25N3O+2 MolecularWeight: 263.3785

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23N3O/c1-13(2)11-15(19)18-9-7-17(8-10-18)12-14-3-5-16-6-4-14/h3-6,13H,7-12H2,1-2H3/p+2