1-ethyl-4-[(5S)-9-fluoranyl-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazin-1-ium

Systemtic Name: 1-ethyl-4-[(5S)-9-fluoranyl-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazin-1-ium Openeye Name: 1-ethyl-4-[(5S)-9-fluoro-3-isopropyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazin-1-ium CAS Name: 1-ethyl-4-[(5S)-9-fluoro-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazin-1-ium IUPAC Name: 1-ethyl-4-[(5S)-9-fluoro-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazin-1-ium Traditional Name: 1-ethyl-4-[(5S)-9-fluoro-3-isopropyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazin-1-ium Formula: C23H30FN2S+ MolecularWeight: 385.561103

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2CC3=C(C=C(C=C3)F)SC4=C2C=C(C=C4)C(C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)[C@H]2CC3=C(C=C(C=C3)F)SC4=C2C=C(C=C4)C(C)C

InChI

InChI=1S/C23H29FN2S/c1-4-25-9-11-26(12-10-25)21-14-18-5-7-19(24)15-23(18)27-22-8-6-17(16(2)3)13-20(21)22/h5-8,13,15-16,21H,4,9-12,14H2,1-3H3/p+1/t21-/m0/s1