1-[(3S)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-yl]-4-(2-fluorophenyl)piperazine

Systemtic Name: 1-[(3S)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-yl]-4-(2-fluorophenyl)piperazine Openeye Name: 1-[(3S)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-yl]-4-(2-fluorophenyl)piperazine CAS Name: 1-[(3S)-1-(1,4-dithiepan-6-yl)-3-piperidin-1-iumyl]-4-(2-fluorophenyl)piperazine IUPAC Name: 1-[(3S)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-yl]-4-(2-fluorophenyl)piperazine Traditional Name: 1-[(3S)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-yl]-4-(2-fluorophenyl)piperazine Formula: C20H31FN3S2+ MolecularWeight: 396.608643

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CSCCSC2)N3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CSCCSC2)N3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C20H30FN3S2/c21-19-5-1-2-6-20(19)23-10-8-22(9-11-23)17-4-3-7-24(14-17)18-15-25-12-13-26-16-18/h1-2,5-6,17-18H,3-4,7-16H2/p+1/t17-/m0/s1