1-[(3S)-1-(2-adamantyl)piperidin-1-ium-3-yl]-4-(2-fluorophenyl)piperazine

Systemtic Name: 1-[(3S)-1-(2-adamantyl)piperidin-1-ium-3-yl]-4-(2-fluorophenyl)piperazine Openeye Name: 1-[(3S)-1-(2-adamantyl)piperidin-1-ium-3-yl]-4-(2-fluorophenyl)piperazine CAS Name: 1-[(3S)-1-(2-adamantyl)-3-piperidin-1-iumyl]-4-(2-fluorophenyl)piperazine IUPAC Name: 1-[(3S)-1-(2-adamantyl)piperidin-1-ium-3-yl]-4-(2-fluorophenyl)piperazine Traditional Name: 1-[(3S)-1-(2-adamantyl)piperidin-1-ium-3-yl]-4-(2-fluorophenyl)piperazine Formula: C25H37FN3+ MolecularWeight: 398.579783

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2C3CC4CC(C3)CC2C4)N5CCN(CC5)C6=CC=CC=C6F

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2C3CC4CC(C3)CC2C4)N5CCN(CC5)C6=CC=CC=C6F

InChI

InChI=1S/C25H36FN3/c26-23-5-1-2-6-24(23)28-10-8-27(9-11-28)22-4-3-7-29(17-22)25-20-13-18-12-19(15-20)16-21(25)14-18/h1-2,5-6,18-22,25H,3-4,7-17H2/p+1/t18?,19?,20?,21?,22-,25?/m0/s1