3-(3,5-dimethylphenyl)-N-[[2-[(3S)-3-oxidanylpiperidin-1-yl]pyridin-1-ium-3-yl]methyl]propanamide

Systemtic Name: 3-(3,5-dimethylphenyl)-N-[[2-[(3S)-3-oxidanylpiperidin-1-yl]pyridin-1-ium-3-yl]methyl]propanamide Openeye Name: 3-(3,5-dimethylphenyl)-N-[[2-[(3S)-3-hydroxy-1-piperidyl]pyridin-1-ium-3-yl]methyl]propanamide CAS Name: 3-(3,5-dimethylphenyl)-N-[[2-[(3S)-3-hydroxy-1-piperidinyl]-3-pyridin-1-iumyl]methyl]propanamide IUPAC Name: 3-(3,5-dimethylphenyl)-N-[[2-[(3S)-3-hydroxypiperidin-1-yl]pyridin-1-ium-3-yl]methyl]propanamide Traditional Name: 3-(3,5-dimethylphenyl)-N-[[2-[(3S)-3-hydroxypiperidino]pyridin-1-ium-3-yl]methyl]propionamide Formula: C22H30N3O2+ MolecularWeight: 368.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CCC(=O)NCC2=C([NH+]=CC=C2)N3CCCC(C3)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)CCC(=O)NCC2=C([NH+]=CC=C2)N3CCC[C@@H](C3)O)C

InChI

InChI=1S/C22H29N3O2/c1-16-11-17(2)13-18(12-16)7-8-21(27)24-14-19-5-3-9-23-22(19)25-10-4-6-20(26)15-25/h3,5,9,11-13,20,26H,4,6-8,10,14-15H2,1-2H3,(H,24,27)/p+1/t20-/m0/s1