2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-1-(1H-indol-3-yl)ethanone

Systemtic Name: 2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-1-(1H-indol-3-yl)ethanone Openeye Name: 2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-1-(1H-indol-3-yl)ethanone CAS Name: 2-[(3R,5R)-3,5-dimethyl-1-piperidin-1-iumyl]-1-(1H-indol-3-yl)ethanone IUPAC Name: 2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-1-(1H-indol-3-yl)ethanone Traditional Name: 2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-1-(1H-indol-3-yl)ethanone Formula: C17H23N2O+ MolecularWeight: 271.37732

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC(=O)C2=CNC3=CC=CC=C32)C

Isomeric SMILES

C[C@@H]1C[C@H](C[NH+](C1)CC(=O)C2=CNC3=CC=CC=C32)C

InChI

InChI=1S/C17H22N2O/c1-12-7-13(2)10-19(9-12)11-17(20)15-8-18-16-6-4-3-5-14(15)16/h3-6,8,12-13,18H,7,9-11H2,1-2H3/p+1/t12-,13-/m1/s1