(2S)-1-(2-methyl-1H-indol-3-yl)-2-(4-oxidanylpiperidin-1-ium-1-yl)propan-1-one

Systemtic Name: (2S)-1-(2-methyl-1H-indol-3-yl)-2-(4-oxidanylpiperidin-1-ium-1-yl)propan-1-one Openeye Name: (2S)-2-(4-hydroxypiperidin-1-ium-1-yl)-1-(2-methyl-1H-indol-3-yl)propan-1-one CAS Name: (2S)-2-(4-hydroxy-1-piperidin-1-iumyl)-1-(2-methyl-1H-indol-3-yl)-1-propanone IUPAC Name: (2S)-2-(4-hydroxypiperidin-1-ium-1-yl)-1-(2-methyl-1H-indol-3-yl)propan-1-one Traditional Name: (2S)-2-(4-hydroxypiperidin-1-ium-1-yl)-1-(2-methyl-1H-indol-3-yl)propan-1-one Formula: C17H23N2O2+ MolecularWeight: 287.37672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)C(C)[NH+]3CCC(CC3)O

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)[C@H](C)[NH+]3CCC(CC3)O

InChI

InChI=1S/C17H22N2O2/c1-11-16(14-5-3-4-6-15(14)18-11)17(21)12(2)19-9-7-13(20)8-10-19/h3-6,12-13,18,20H,7-10H2,1-2H3/p+1/t12-/m0/s1