4,5-dihydro-[1,3]thiazolo[2,3-d][1,5]benzodiazepin-11-ium-6-carbaldehyde

Systemtic Name: 4,5-dihydro-[1,3]thiazolo[2,3-d][1,5]benzodiazepin-11-ium-6-carbaldehyde Openeye Name: 4,5-dihydrothiazolo[2,3-d][1,5]benzodiazepin-11-ium-6-carbaldehyde CAS Name: 4,5-dihydrothiazolo[2,3-d][1,5]benzodiazepin-11-ium-6-carboxaldehyde IUPAC Name: 4,5-dihydro-[1,3]thiazolo[2,3-d][1,5]benzodiazepin-11-ium-6-carbaldehyde Traditional Name: 4,5-dihydrothiazolo[2,3-d][1,5]benzodiazepin-11-ium-6-carbaldehyde Formula: C12H11N2OS+ MolecularWeight: 231.29354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C2[N+]3=C1SC=C3)C=O

Isomeric SMILES

C1CN(C2=CC=CC=C2[N+]3=C1SC=C3)C=O

InChI

InChI=1S/C12H11N2OS/c15-9-13-6-5-12-14(7-8-16-12)11-4-2-1-3-10(11)13/h1-4,7-9H,5-6H2/q+1