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

Systemtic Name: 3-methyl-1-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]butan-1-one Openeye Name: 3-methyl-1-[4-(3-pyridylmethyl)piperazin-4-ium-1-yl]butan-1-one CAS Name: 3-methyl-1-[4-(3-pyridinylmethyl)-1-piperazin-4-iumyl]-1-butanone IUPAC Name: 3-methyl-1-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]butan-1-one Traditional Name: 3-methyl-1-[4-(3-pyridylmethyl)piperazin-4-ium-1-yl]butan-1-one Formula: C15H24N3O+ MolecularWeight: 262.37056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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