2-methyl-[1]benzothiolo[3,2-h]isoquinolin-2-ium-6-amine chloride hydrate

Systemtic Name: 2-methyl-[1]benzothiolo[3,2-h]isoquinolin-2-ium-6-amine chloride hydrate Openeye Name: 2-methylbenzothiopheno[3,2-h]isoquinolin-2-ium-6-amine chloride hydrate CAS Name: 2-methyl-[1]benzothiolo[3,2-h]isoquinolin-2-ium-6-amine chloride hydrate IUPAC Name: 2-methyl-[1]benzothiolo[3,2-h]isoquinolin-2-ium-6-amine chloride hydrate Traditional Name: (2-methylbenzothiophen[3,2-h]isoquinolin-2-ium-6-yl)amine chloride hydrate Formula: C16H15ClN2OS MolecularWeight: 318.8211

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC2=C3C(=C(C=C2C=C1)N)C4=CC=CC=C4S3.O.[Cl-]

Isomeric SMILES

C[N+]1=CC2=C3C(=C(C=C2C=C1)N)C4=CC=CC=C4S3.O.[Cl-]

InChI

InChI=1S/C16H12N2S.ClH.H2O/c1-18-7-6-10-8-13(17)15-11-4-2-3-5-14(11)19-16(15)12(10)9-18;;/h2-9,17H,1H3;1H;1H2