(2S)-1-(1H-indol-3-yl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]propan-1-one

Systemtic Name: (2S)-1-(1H-indol-3-yl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]propan-1-one Openeye Name: (2S)-1-(1H-indol-3-yl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]propan-1-one CAS Name: (2S)-1-(1H-indol-3-yl)-2-[(3R)-3-methyl-1-piperidin-1-iumyl]-1-propanone IUPAC Name: (2S)-1-(1H-indol-3-yl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]propan-1-one Traditional Name: (2S)-1-(1H-indol-3-yl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]propan-1-one Formula: C17H23N2O+ MolecularWeight: 271.37732

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)C(C)C(=O)C2=CNC3=CC=CC=C32

Isomeric SMILES

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

InChI

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