(2R)-N-(1-cyanocyclohexyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-methyl-propanamide

Systemtic Name: (2R)-N-(1-cyanocyclohexyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-methyl-propanamide Openeye Name: (2R)-N-(1-cyanocyclohexyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-methyl-propanamide CAS Name: (2R)-N-(1-cyanocyclohexyl)-2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-N-methylpropanamide IUPAC Name: (2R)-N-(1-cyanocyclohexyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-methylpropanamide Traditional Name: (2R)-N-(1-cyanocyclohexyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-methyl-propionamide Formula: C21H30FN4O+ MolecularWeight: 373.487503

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1(CCCCC1)C#N)[NH+]2CCN(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

C[C@H](C(=O)N(C)C1(CCCCC1)C#N)[NH+]2CCN(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H29FN4O/c1-17(20(27)24(2)21(16-23)10-4-3-5-11-21)25-12-14-26(15-13-25)19-8-6-18(22)7-9-19/h6-9,17H,3-5,10-15H2,1-2H3/p+1/t17-/m1/s1