(6-naphthalen-1-yl-8H-pyrrolo[2,1-d][1,5]benzothiazepin-11-ium-7-yl) N,N-dimethylcarbamate

Systemtic Name: (6-naphthalen-1-yl-8H-pyrrolo[2,1-d][1,5]benzothiazepin-11-ium-7-yl) N,N-dimethylcarbamate Openeye Name: [6-(1-naphthyl)-8H-pyrrolo[2,1-d][1,5]benzothiazepin-11-ium-7-yl] N,N-dimethylcarbamate CAS Name: N,N-dimethylcarbamic acid [6-(1-naphthalenyl)-8H-pyrrolo[2,1-d][1,5]benzothiazepin-11-ium-7-yl] ester IUPAC Name: (6-naphthalen-1-yl-8H-pyrrolo[2,1-d][1,5]benzothiazepin-11-ium-7-yl) N,N-dimethylcarbamate Traditional Name: N,N-dimethylcarbamic acid [6-(1-naphthyl)-8H-pyrrolo[2,1-d][1,5]benzothiazepin-11-ium-7-yl] ester Formula: C25H21N2O2S+ MolecularWeight: 413.51144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)OC1=C(SC2=CC=CC=C2[N+]3=C1CC=C3)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

CN(C)C(=O)OC1=C(SC2=CC=CC=C2[N+]3=C1CC=C3)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C25H21N2O2S/c1-26(2)25(28)29-23-21-14-8-16-27(21)20-13-5-6-15-22(20)30-24(23)19-12-7-10-17-9-3-4-11-18(17)19/h3-13,15-16H,14H2,1-2H3/q+1