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

Systemtic Name: 1-[(5S)-4-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]-4-methyl-piperazin-4-ium Openeye Name: 1-[(5S)-4-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]-4-methyl-piperazin-4-ium CAS Name: 1-[(5S)-4-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]-4-methylpiperazin-4-ium IUPAC Name: 1-[(5S)-4-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]-4-methylpiperazin-4-ium Traditional Name: 1-[(5S)-4-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]-4-methyl-piperazin-4-ium Formula: C19H22ClN2S+ MolecularWeight: 345.90938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClN2S/c1-21-9-11-22(12-10-21)16-13-14-5-2-3-7-17(14)23-18-8-4-6-15(20)19(16)18/h2-8,16H,9-13H2,1H3/p+1/t16-/m0/s1