3-methyl-1-[(3S)-piperidin-1-ium-3-yl]butan-1-one

Systemtic Name: 3-methyl-1-[(3S)-piperidin-1-ium-3-yl]butan-1-one Openeye Name: 3-methyl-1-[(3S)-piperidin-1-ium-3-yl]butan-1-one CAS Name: 3-methyl-1-[(3S)-3-piperidin-1-iumyl]-1-butanone IUPAC Name: 3-methyl-1-[(3S)-piperidin-1-ium-3-yl]butan-1-one Traditional Name: 3-methyl-1-[(3S)-piperidin-1-ium-3-yl]butan-1-one Formula: C10H20NO+ MolecularWeight: 170.2719

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)C1CCC[NH2+]C1

Isomeric SMILES

CC(C)CC(=O)[C@H]1CCC[NH2+]C1

InChI

InChI=1S/C10H19NO/c1-8(2)6-10(12)9-4-3-5-11-7-9/h8-9,11H,3-7H2,1-2H3/p+1/t9-/m0/s1