(2S)-N-cycloheptyl-2-[4-(4-fluorophenyl)carbonylpiperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-cycloheptyl-2-[4-(4-fluorophenyl)carbonylpiperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-cycloheptyl-2-[4-(4-fluorobenzoyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-cycloheptyl-2-[4-[(4-fluorophenyl)-oxomethyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-cycloheptyl-2-[4-(4-fluorobenzoyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-cycloheptyl-2-[4-(4-fluorobenzoyl)piperazin-1-ium-1-yl]propionamide Formula: C21H31FN3O2+ MolecularWeight: 376.488143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCCC1)[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C[C@@H](C(=O)NC1CCCCCC1)[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H30FN3O2/c1-16(20(26)23-19-6-4-2-3-5-7-19)24-12-14-25(15-13-24)21(27)17-8-10-18(22)11-9-17/h8-11,16,19H,2-7,12-15H2,1H3,(H,23,26)/p+1/t16-/m0/s1