1-(2-fluorophenyl)-4-[(3S)-1-pentan-3-ylpiperidin-1-ium-3-yl]piperazine

Systemtic Name: 1-(2-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-(2-fluorophenyl)piperazine CAS Name: 1-(2-fluorophenyl)-4-[(3S)-1-pentan-3-yl-3-piperidin-1-iumyl]piperazine IUPAC Name: 1-(2-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-(2-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=CC=C3F

Isomeric SMILES

CCC(CC)[NH+]1CCC[C@@H](C1)N2CCN(CC2)C3=CC=CC=C3F

InChI

InChI=1S/C20H32FN3/c1-3-17(4-2)24-11-7-8-18(16-24)22-12-14-23(15-13-22)20-10-6-5-9-19(20)21/h5-6,9-10,17-18H,3-4,7-8,11-16H2,1-2H3/p+1/t18-/m0/s1