benzo[b][1,4]benzothiazepin-5-ium-6-amine

Systemtic Name: benzo[b][1,4]benzothiazepin-5-ium-6-amine Openeye Name: benzo[b][1,4]benzothiazepin-5-ium-6-amine CAS Name: 6-benzo[b][1,4]benzothiazepin-5-iumamine IUPAC Name: benzo[b][1,4]benzothiazepin-5-ium-6-amine Traditional Name: benzo[b][1,4]benzothiazepin-5-ium-6-ylamine Formula: C13H11N2S+ MolecularWeight: 227.30484

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=[NH+]C3=CC=CC=C3S2)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=[NH+]C3=CC=CC=C3S2)N

InChI

InChI=1S/C13H10N2S/c14-13-9-5-1-3-7-11(9)16-12-8-4-2-6-10(12)15-13/h1-8H,(H2,14,15)/p+1