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

Systemtic Name: (6-naphthalen-1-yl-8H-pyrrolo[2,1-d][1,5]benzoxazepin-11-ium-7-yl) pentanoate Openeye Name: [6-(1-naphthyl)-8H-pyrrolo[2,1-d][1,5]benzoxazepin-11-ium-7-yl] pentanoate CAS Name: pentanoic 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) pentanoate Traditional Name: valeric acid [6-(1-naphthyl)-8H-pyrrolo[2,1-d][1,5]benzoxazepin-11-ium-7-yl] ester Formula: C27H24NO3+ MolecularWeight: 410.48436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H24NO3/c1-2-3-17-25(29)31-27-23-15-9-18-28(23)22-14-6-7-16-24(22)30-26(27)21-13-8-11-19-10-4-5-12-20(19)21/h4-14,16,18H,2-3,15,17H2,1H3/q+1