(1S,2S)-2-[4-[(7-fluoranyl-2-methyl-quinolin-4-yl)methyl]piperazin-4-ium-1-yl]cyclohexan-1-ol

Systemtic Name: (1S,2S)-2-[4-[(7-fluoranyl-2-methyl-quinolin-4-yl)methyl]piperazin-4-ium-1-yl]cyclohexan-1-ol Openeye Name: (1S,2S)-2-[4-[(7-fluoro-2-methyl-4-quinolyl)methyl]piperazin-4-ium-1-yl]cyclohexanol CAS Name: (1S,2S)-2-[4-[(7-fluoro-2-methyl-4-quinolinyl)methyl]-1-piperazin-4-iumyl]-1-cyclohexanol IUPAC Name: (1S,2S)-2-[4-[(7-fluoro-2-methylquinolin-4-yl)methyl]piperazin-4-ium-1-yl]cyclohexan-1-ol Traditional Name: (1S,2S)-2-[4-[(7-fluoro-2-methyl-4-quinolyl)methyl]piperazin-4-ium-1-yl]cyclohexanol Formula: C21H29FN3O+ MolecularWeight: 358.472863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC(=C2)F)C(=C1)C[NH+]3CCN(CC3)C4CCCCC4O

Isomeric SMILES

CC1=NC2=C(C=CC(=C2)F)C(=C1)C[NH+]3CCN(CC3)[C@H]4CCCC[C@@H]4O

InChI

InChI=1S/C21H28FN3O/c1-15-12-16(18-7-6-17(22)13-19(18)23-15)14-24-8-10-25(11-9-24)20-4-2-3-5-21(20)26/h6-7,12-13,20-21,26H,2-5,8-11,14H2,1H3/p+1/t20-,21-/m0/s1