N,N-dimethyl-3-pyrido[3,4-b][1,4]benzothiazin-2-ium-5-yl-propan-1-amine chloride

Systemtic Name: N,N-dimethyl-3-pyrido[3,4-b][1,4]benzothiazin-2-ium-5-yl-propan-1-amine chloride Openeye Name: N,N-dimethyl-3-pyrido[3,4-b][1,4]benzothiazin-2-ium-5-yl-propan-1-amine chloride CAS Name: N,N-dimethyl-3-(5-pyrido[3,4-b][1,4]benzothiazin-2-iumyl)-1-propanamine chloride IUPAC Name: N,N-dimethyl-3-pyrido[3,4-b][1,4]benzothiazin-2-ium-5-ylpropan-1-amine chloride Traditional Name: dimethyl(3-pyrido[3,4-b][1,4]benzothiazin-2-ium-5-ylpropyl)amine chloride Formula: C16H20ClN3S MolecularWeight: 321.8681

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCN1C2=C(C=[NH+]C=C2)SC3=CC=CC=C31.[Cl-]

Isomeric SMILES

CN(C)CCCN1C2=C(C=[NH+]C=C2)SC3=CC=CC=C31.[Cl-]

InChI

InChI=1S/C16H19N3S.ClH/c1-18(2)10-5-11-19-13-6-3-4-7-15(13)20-16-12-17-9-8-14(16)19;/h3-4,6-9,12H,5,10-11H2,1-2H3;1H