1-(1,3-benzothiazol-2-yl)-2-quinolin-1-ium-1-yl-ethanone

Systemtic Name: 1-(1,3-benzothiazol-2-yl)-2-quinolin-1-ium-1-yl-ethanone Openeye Name: 1-(1,3-benzothiazol-2-yl)-2-quinolin-1-ium-1-yl-ethanone CAS Name: 1-(1,3-benzothiazol-2-yl)-2-(1-quinolin-1-iumyl)ethanone IUPAC Name: 1-(1,3-benzothiazol-2-yl)-2-quinolin-1-ium-1-ylethanone Traditional Name: 1-(1,3-benzothiazol-2-yl)-2-quinolin-1-ium-1-yl-ethanone Formula: C18H13N2OS+ MolecularWeight: 305.37362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=[N+]2CC(=O)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=[N+]2CC(=O)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H13N2OS/c21-16(18-19-14-8-2-4-10-17(14)22-18)12-20-11-5-7-13-6-1-3-9-15(13)20/h1-11H,12H2/q+1