3-(chloromethyl)-2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]quinolin-1-ium

Systemtic Name: 3-(chloromethyl)-2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]quinolin-1-ium Openeye Name: 3-(chloromethyl)-2-[(2S,6S)-2,6-dimethyl-1-piperidyl]quinolin-1-ium CAS Name: 3-(chloromethyl)-2-[(2S,6S)-2,6-dimethyl-1-piperidinyl]quinolin-1-ium IUPAC Name: 3-(chloromethyl)-2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]quinolin-1-ium Traditional Name: 3-(chloromethyl)-2-[(2S,6S)-2,6-dimethylpiperidino]quinolin-1-ium Formula: C17H22ClN2+ MolecularWeight: 289.82298

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C2=[NH+]C3=CC=CC=C3C=C2CCl)C

Isomeric SMILES

C[C@H]1CCC[C@@H](N1C2=[NH+]C3=CC=CC=C3C=C2CCl)C

InChI

InChI=1S/C17H21ClN2/c1-12-6-5-7-13(2)20(12)17-15(11-18)10-14-8-3-4-9-16(14)19-17/h3-4,8-10,12-13H,5-7,11H2,1-2H3/p+1/t12-,13-/m0/s1