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

Systemtic Name: 4-[(5S)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazin-4-ium-1-carbonitrile Openeye Name: 4-[(5S)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazin-4-ium-1-carbonitrile CAS Name: 4-[(5S)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]-1-piperazin-4-iumcarbonitrile IUPAC Name: 4-[(5S)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazin-4-ium-1-carbonitrile Traditional Name: 4-[(5S)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazin-4-ium-1-carbonitrile Formula: C19H20N3S+ MolecularWeight: 322.4472

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2CC3=CC=CC=C3SC4=CC=CC=C24)C#N

Isomeric SMILES

C1CN(CC[NH+]1[C@H]2CC3=CC=CC=C3SC4=CC=CC=C24)C#N

InChI

InChI=1S/C19H19N3S/c20-14-21-9-11-22(12-10-21)17-13-15-5-1-3-7-18(15)23-19-8-4-2-6-16(17)19/h1-8,17H,9-13H2/p+1/t17-/m0/s1