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

Systemtic Name: 1-[(5S)-4-cyclopropyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]-4-methyl-piperazin-4-ium Openeye Name: 1-[(5S)-4-cyclopropyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]-4-methyl-piperazin-4-ium CAS Name: 1-[(5S)-4-cyclopropyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]-4-methylpiperazin-4-ium IUPAC Name: 1-[(5S)-4-cyclopropyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]-4-methylpiperazin-4-ium Traditional Name: 1-[(5S)-4-cyclopropyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]-4-methyl-piperazin-4-ium Formula: C22H27N2S+ MolecularWeight: 351.52818

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2CC3=CC=CC=C3SC4=CC=CC(=C24)C5CC5

Isomeric SMILES

C[NH+]1CCN(CC1)[C@H]2CC3=CC=CC=C3SC4=CC=CC(=C24)C5CC5

InChI

InChI=1S/C22H26N2S/c1-23-11-13-24(14-12-23)19-15-17-5-2-3-7-20(17)25-21-8-4-6-18(22(19)21)16-9-10-16/h2-8,16,19H,9-15H2,1H3/p+1/t19-/m0/s1