2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]quinolin-1-ium-3-carbaldehyde

Systemtic Name: 2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]quinolin-1-ium-3-carbaldehyde Openeye Name: 2-[(3S,5S)-3,5-dimethyl-1-piperidyl]quinolin-1-ium-3-carbaldehyde CAS Name: 2-[(3S,5S)-3,5-dimethyl-1-piperidinyl]-3-quinolin-1-iumcarboxaldehyde IUPAC Name: 2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]quinolin-1-ium-3-carbaldehyde Traditional Name: 2-[(3S,5S)-3,5-dimethylpiperidino]quinolin-1-ium-3-carbaldehyde Formula: C17H21N2O+ MolecularWeight: 269.36144

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=[NH+]C3=CC=CC=C3C=C2C=O)C

Isomeric SMILES

C[C@H]1C[C@@H](CN(C1)C2=[NH+]C3=CC=CC=C3C=C2C=O)C

InChI

InChI=1S/C17H20N2O/c1-12-7-13(2)10-19(9-12)17-15(11-20)8-14-5-3-4-6-16(14)18-17/h3-6,8,11-13H,7,9-10H2,1-2H3/p+1/t12-,13-/m0/s1