1-tert-butyl-4-[(5S)-3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazin-1-ium

Systemtic Name: 1-tert-butyl-4-[(5S)-3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazin-1-ium Openeye Name: 1-tert-butyl-4-[(5S)-3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazin-1-ium CAS Name: 1-tert-butyl-4-[(5S)-3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazin-1-ium IUPAC Name: 1-tert-butyl-4-[(5S)-3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazin-1-ium Traditional Name: 1-tert-butyl-4-[(5S)-3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazin-1-ium Formula: C22H28ClN2S+ MolecularWeight: 387.98912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[NH+]1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl

Isomeric SMILES

CC(C)(C)[NH+]1CCN(CC1)[C@H]2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl

InChI

InChI=1S/C22H27ClN2S/c1-22(2,3)25-12-10-24(11-13-25)19-14-16-6-4-5-7-20(16)26-21-9-8-17(23)15-18(19)21/h4-9,15,19H,10-14H2,1-3H3/p+1/t19-/m0/s1