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

Systemtic Name: 1-[(5S)-3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]-4-ethyl-piperazin-4-ium Openeye Name: 1-[(5S)-3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]-4-ethyl-piperazin-4-ium CAS Name: 1-[(5S)-3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]-4-ethylpiperazin-4-ium IUPAC Name: 1-[(5S)-3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]-4-ethylpiperazin-4-ium Traditional Name: 1-[(5S)-3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]-4-ethyl-piperazin-4-ium Formula: C20H24ClN2S+ MolecularWeight: 359.93596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN2S/c1-2-22-9-11-23(12-10-22)18-13-15-5-3-4-6-19(15)24-20-8-7-16(21)14-17(18)20/h3-8,14,18H,2,9-13H2,1H3/p+1/t18-/m0/s1