[(2S)-1-carbazol-9-yl-3-piperidin-1-ium-1-yl-propan-2-yl] ethanoate

Systemtic Name: [(2S)-1-carbazol-9-yl-3-piperidin-1-ium-1-yl-propan-2-yl] ethanoate Openeye Name: [(1S)-1-(carbazol-9-ylmethyl)-2-piperidin-1-ium-1-yl-ethyl] acetate CAS Name: acetic acid [(2S)-1-(9-carbazolyl)-3-(1-piperidin-1-iumyl)propan-2-yl] ester IUPAC Name: [(2S)-1-carbazol-9-yl-3-piperidin-1-ium-1-ylpropan-2-yl] acetate Traditional Name: acetic acid [(1S)-1-(carbazol-9-ylmethyl)-2-piperidin-1-ium-1-yl-ethyl] ester Formula: C22H27N2O2+ MolecularWeight: 351.46198

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C[NH+]1CCCCC1)CN2C3=CC=CC=C3C4=CC=CC=C42

Isomeric SMILES

CC(=O)O[C@H](C[NH+]1CCCCC1)CN2C3=CC=CC=C3C4=CC=CC=C42

InChI

InChI=1S/C22H26N2O2/c1-17(25)26-18(15-23-13-7-2-8-14-23)16-24-21-11-5-3-9-19(21)20-10-4-6-12-22(20)24/h3-6,9-12,18H,2,7-8,13-16H2,1H3/p+1/t18-/m1/s1