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

Systemtic Name: (6-naphthalen-1-yl-8H-pyrrolo[2,1-d][1,5]benzothiazepin-11-ium-7-yl) N,N-diethylcarbamate Openeye Name: [6-(1-naphthyl)-8H-pyrrolo[2,1-d][1,5]benzothiazepin-11-ium-7-yl] N,N-diethylcarbamate CAS Name: N,N-diethylcarbamic 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-diethylcarbamate Traditional Name: N,N-diethylcarbamic acid [6-(1-naphthyl)-8H-pyrrolo[2,1-d][1,5]benzothiazepin-11-ium-7-yl] ester Formula: C27H25N2O2S+ MolecularWeight: 441.5646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25N2O2S/c1-3-28(4-2)27(30)31-25-23-16-10-18-29(23)22-15-7-8-17-24(22)32-26(25)21-14-9-12-19-11-5-6-13-20(19)21/h5-15,17-18H,3-4,16H2,1-2H3/q+1