(2S,5S)-5-ethyl-2-[3-(2-hydroxyethyl)-1H-indol-2-yl]-1-methyl-piperidin-1-ium-4-one

Systemtic Name: (2S,5S)-5-ethyl-2-[3-(2-hydroxyethyl)-1H-indol-2-yl]-1-methyl-piperidin-1-ium-4-one Openeye Name: (2S,5S)-5-ethyl-2-[3-(2-hydroxyethyl)-1H-indol-2-yl]-1-methyl-piperidin-1-ium-4-one CAS Name: (2S,5S)-5-ethyl-2-[3-(2-hydroxyethyl)-1H-indol-2-yl]-1-methyl-4-piperidin-1-iumone IUPAC Name: (2S,5S)-5-ethyl-2-[3-(2-hydroxyethyl)-1H-indol-2-yl]-1-methylpiperidin-1-ium-4-one Traditional Name: (2S,5S)-5-ethyl-2-[3-(2-hydroxyethyl)-1H-indol-2-yl]-1-methyl-piperidin-1-ium-4-one Formula: C18H25N2O2+ MolecularWeight: 301.4033

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C[NH+](C(CC1=O)C2=C(C3=CC=CC=C3N2)CCO)C

Isomeric SMILES

CC[C@H]1C[NH+]([C@@H](CC1=O)C2=C(C3=CC=CC=C3N2)CCO)C

InChI

InChI=1S/C18H24N2O2/c1-3-12-11-20(2)16(10-17(12)22)18-14(8-9-21)13-6-4-5-7-15(13)19-18/h4-7,12,16,19,21H,3,8-11H2,1-2H3/p+1/t12-,16-/m0/s1