4-methyl-3a,4,5,11-tetrahydro-[1,3]thiazolo[3,2-a][1,5]benzodiazepin-11-ium-6-carbaldehyde

Systemtic Name: 4-methyl-3a,4,5,11-tetrahydro-[1,3]thiazolo[3,2-a][1,5]benzodiazepin-11-ium-6-carbaldehyde Openeye Name: 4-methyl-3a,4,5,11-tetrahydrothiazolo[3,2-a][1,5]benzodiazepin-11-ium-6-carbaldehyde CAS Name: 4-methyl-3a,4,5,11-tetrahydrothiazolo[3,2-a][1,5]benzodiazepin-11-ium-6-carboxaldehyde IUPAC Name: 4-methyl-3a,4,5,11-tetrahydro-[1,3]thiazolo[3,2-a][1,5]benzodiazepin-11-ium-6-carbaldehyde Traditional Name: 4-methyl-3a,4,5,11-tetrahydrothiazolo[3,2-a][1,5]benzodiazepin-11-ium-6-carbaldehyde Formula: C13H15N2OS+ MolecularWeight: 247.336

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C2=CC=CC=C2[NH+]3C1SC=C3)C=O

Isomeric SMILES

CC1CN(C2=CC=CC=C2[NH+]3C1SC=C3)C=O

InChI

InChI=1S/C13H14N2OS/c1-10-8-14(9-16)11-4-2-3-5-12(11)15-6-7-17-13(10)15/h2-7,9-10,13H,8H2,1H3/p+1