cycloheptyl-[[7-fluoranyl-2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]quinolin-3-yl]methyl]azanium

Systemtic Name: cycloheptyl-[[7-fluoranyl-2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]quinolin-3-yl]methyl]azanium Openeye Name: cycloheptyl-[[7-fluoro-2-[(3S)-3-(hydroxymethyl)-1-piperidyl]-3-quinolyl]methyl]ammonium CAS Name: cycloheptyl-[[7-fluoro-2-[(3S)-3-(hydroxymethyl)-1-piperidinyl]-3-quinolinyl]methyl]ammonium IUPAC Name: cycloheptyl-[[7-fluoro-2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]quinolin-3-yl]methyl]azanium Traditional Name: cycloheptyl-[[7-fluoro-2-[(3S)-3-methylolpiperidino]-3-quinolyl]methyl]ammonium Formula: C23H33FN3O+ MolecularWeight: 386.526023

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)[NH2+]CC2=C(N=C3C=C(C=CC3=C2)F)N4CCCC(C4)CO

Isomeric SMILES

C1CCCC(CC1)[NH2+]CC2=C(N=C3C=C(C=CC3=C2)F)N4CCC[C@@H](C4)CO

InChI

InChI=1S/C23H32FN3O/c24-20-10-9-18-12-19(14-25-21-7-3-1-2-4-8-21)23(26-22(18)13-20)27-11-5-6-17(15-27)16-28/h9-10,12-13,17,21,25,28H,1-8,11,14-16H2/p+1/t17-/m0/s1