1-(4-fluorophenyl)-4-[(3S)-1-pentan-3-ylpiperidin-1-ium-3-yl]piperazine

Systemtic Name: 1-(4-fluorophenyl)-4-[(3S)-1-pentan-3-ylpiperidin-1-ium-3-yl]piperazine Openeye Name: 1-[(3S)-1-(1-ethylpropyl)piperidin-1-ium-3-yl]-4-(4-fluorophenyl)piperazine CAS Name: 1-(4-fluorophenyl)-4-[(3S)-1-pentan-3-yl-3-piperidin-1-iumyl]piperazine IUPAC Name: 1-(4-fluorophenyl)-4-[(3S)-1-pentan-3-ylpiperidin-1-ium-3-yl]piperazine Traditional Name: 1-[(3S)-1-(1-ethylpropyl)piperidin-1-ium-3-yl]-4-(4-fluorophenyl)piperazine Formula: C20H33FN3+ MolecularWeight: 334.494523

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)[NH+]1CCCC(C1)N2CCN(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

CCC(CC)[NH+]1CCC[C@@H](C1)N2CCN(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H32FN3/c1-3-18(4-2)24-11-5-6-20(16-24)23-14-12-22(13-15-23)19-9-7-17(21)8-10-19/h7-10,18,20H,3-6,11-16H2,1-2H3/p+1/t20-/m0/s1