(4-propan-2-ylpiperazin-4-ium-1-yl)-pyridin-3-yl-methanone

Systemtic Name: (4-propan-2-ylpiperazin-4-ium-1-yl)-pyridin-3-yl-methanone Openeye Name: (4-isopropylpiperazin-4-ium-1-yl)-(3-pyridyl)methanone CAS Name: (4-propan-2-yl-1-piperazin-4-iumyl)-(3-pyridinyl)methanone IUPAC Name: (4-propan-2-ylpiperazin-4-ium-1-yl)-pyridin-3-ylmethanone Traditional Name: (4-isopropylpiperazin-4-ium-1-yl)-(3-pyridyl)methanone Formula: C13H20N3O+ MolecularWeight: 234.3174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCN(CC1)C(=O)C2=CN=CC=C2

Isomeric SMILES

CC(C)[NH+]1CCN(CC1)C(=O)C2=CN=CC=C2

InChI

InChI=1S/C13H19N3O/c1-11(2)15-6-8-16(9-7-15)13(17)12-4-3-5-14-10-12/h3-5,10-11H,6-9H2,1-2H3/p+1