7-(3-chlorophenyl)-4-(quinolin-8-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol

Systemtic Name: 7-(3-chlorophenyl)-4-(quinolin-8-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Openeye Name: 7-(3-chlorophenyl)-4-(8-quinolylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol CAS Name: 7-(3-chlorophenyl)-4-(8-quinolinylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol IUPAC Name: 7-(3-chlorophenyl)-4-(quinolin-8-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Traditional Name: 7-(3-chlorophenyl)-4-(8-quinolylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Formula: C25H22ClN2O2+ MolecularWeight: 417.90738

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C[NH+]1CC3=CC=CC4=C3N=CC=C4)C=C(C=C2O)C5=CC(=CC=C5)Cl

Isomeric SMILES

C1COC2=C(C[NH+]1CC3=CC=CC4=C3N=CC=C4)C=C(C=C2O)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C25H21ClN2O2/c26-22-8-2-5-18(13-22)20-12-21-16-28(10-11-30-25(21)23(29)14-20)15-19-6-1-4-17-7-3-9-27-24(17)19/h1-9,12-14,29H,10-11,15-16H2/p+1