5-(4-methylpyridin-1-ium-1-yl)-1-piperazin-4-ium-1-yl-pentan-1-one

Systemtic Name: 5-(4-methylpyridin-1-ium-1-yl)-1-piperazin-4-ium-1-yl-pentan-1-one Openeye Name: 5-(4-methylpyridin-1-ium-1-yl)-1-piperazin-4-ium-1-yl-pentan-1-one CAS Name: 5-(4-methyl-1-pyridin-1-iumyl)-1-(1-piperazin-4-iumyl)-1-pentanone IUPAC Name: 5-(4-methylpyridin-1-ium-1-yl)-1-piperazin-4-ium-1-ylpentan-1-one Traditional Name: 5-(4-methylpyridin-1-ium-1-yl)-1-piperazin-4-ium-1-yl-pentan-1-one Formula: C15H25N3O+2 MolecularWeight: 263.3785

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](C=C1)CCCCC(=O)N2CC[NH2+]CC2

Isomeric SMILES

CC1=CC=[N+](C=C1)CCCCC(=O)N2CC[NH2+]CC2

InChI

InChI=1S/C15H24N3O/c1-14-5-10-17(11-6-14)9-3-2-4-15(19)18-12-7-16-8-13-18/h5-6,10-11,16H,2-4,7-9,12-13H2,1H3/q+1/p+1