1-[(5S)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]-4-methyl-piperazine-1,4-diium

Systemtic Name: 1-[(5S)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]-4-methyl-piperazine-1,4-diium Openeye Name: 1-[(5S)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]-4-methyl-piperazine-1,4-diium CAS Name: 1-[(5S)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]-4-methylpiperazine-1,4-diium IUPAC Name: 1-[(5S)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]-4-methylpiperazine-1,4-diium Traditional Name: 1-[(5S)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]-4-methyl-piperazine-1,4-diium Formula: C19H24N2S+2 MolecularWeight: 312.47226

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)C2CC3=CC=CC=C3SC4=CC=CC=C24

Isomeric SMILES

C[NH+]1CC[NH+](CC1)[C@H]2CC3=CC=CC=C3SC4=CC=CC=C24

InChI

InChI=1S/C19H22N2S/c1-20-10-12-21(13-11-20)17-14-15-6-2-4-8-18(15)22-19-9-5-3-7-16(17)19/h2-9,17H,10-14H2,1H3/p+2/t17-/m0/s1