(6-naphthalen-1-yl-8H-pyrrolo[2,1-d][1,5]benzoxazepin-11-ium-7-yl) hexanoate

Systemtic Name: (6-naphthalen-1-yl-8H-pyrrolo[2,1-d][1,5]benzoxazepin-11-ium-7-yl) hexanoate Openeye Name: [6-(1-naphthyl)-8H-pyrrolo[2,1-d][1,5]benzoxazepin-11-ium-7-yl] hexanoate CAS Name: hexanoic acid [6-(1-naphthalenyl)-8H-pyrrolo[2,1-d][1,5]benzoxazepin-11-ium-7-yl] ester IUPAC Name: (6-naphthalen-1-yl-8H-pyrrolo[2,1-d][1,5]benzoxazepin-11-ium-7-yl) hexanoate Traditional Name: hexanoic acid [6-(1-naphthyl)-8H-pyrrolo[2,1-d][1,5]benzoxazepin-11-ium-7-yl] ester Formula: C28H26NO3+ MolecularWeight: 424.51094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC1=C(OC2=CC=CC=C2[N+]3=C1CC=C3)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

CCCCCC(=O)OC1=C(OC2=CC=CC=C2[N+]3=C1CC=C3)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C28H26NO3/c1-2-3-4-18-26(30)32-28-24-16-10-19-29(24)23-15-7-8-17-25(23)31-27(28)22-14-9-12-20-11-5-6-13-21(20)22/h5-15,17,19H,2-4,16,18H2,1H3/q+1