2-[2-(azepan-1-yl)ethyl]-1,2-benzothiazol-3-one hydrochloride

Systemtic Name: 2-[2-(azepan-1-yl)ethyl]-1,2-benzothiazol-3-one hydrochloride Openeye Name: 2-[2-(azepan-1-yl)ethyl]-1,2-benzothiazol-3-one hydrochloride CAS Name: 2-[2-(1-azepanyl)ethyl]-1,2-benzothiazol-3-one hydrochloride IUPAC Name: 2-[2-(azepan-1-yl)ethyl]-1,2-benzothiazol-3-one hydrochloride Traditional Name: 2-[2-(azepan-1-yl)ethyl]-1,2-benzothiazol-3-one hydrochloride Formula: C15H21ClN2OS MolecularWeight: 312.85804

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCN2C(=O)C3=CC=CC=C3S2.Cl

Isomeric SMILES

C1CCCN(CC1)CCN2C(=O)C3=CC=CC=C3S2.Cl

InChI

InChI=1S/C15H20N2OS.ClH/c18-15-13-7-3-4-8-14(13)19-17(15)12-11-16-9-5-1-2-6-10-16;/h3-4,7-8H,1-2,5-6,9-12H2;1H