2-[3-bromanyl-8-methyl-1-(1-methylcyclohexyl)-2-oxidanylidene-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[3-bromanyl-8-methyl-1-(1-methylcyclohexyl)-2-oxidanylidene-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-ium-1-yl]ethanoic acid Openeye Name: 2-[3-bromo-8-methyl-1-(1-methylcyclohexyl)-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-ium-1-yl]acetic acid CAS Name: 2-[3-bromo-8-methyl-1-(1-methylcyclohexyl)-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-ium-1-yl]acetic acid IUPAC Name: 2-[3-bromo-8-methyl-1-(1-methylcyclohexyl)-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-ium-1-yl]acetic acid Traditional Name: 2-[3-bromo-2-keto-8-methyl-1-(1-methylcyclohexyl)-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-ium-1-yl]acetic acid Formula: C26H31BrNO3+ MolecularWeight: 485.43324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(CC(C(=O)[N+]2(CC(=O)O)C3(CCCCC3)C)Br)C4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)C(CC(C(=O)[N+]2(CC(=O)O)C3(CCCCC3)C)Br)C4=CC=CC=C4

InChI

InChI=1S/C26H30BrNO3/c1-18-11-12-20-21(19-9-5-3-6-10-19)16-22(27)25(31)28(17-24(29)30,23(20)15-18)26(2)13-7-4-8-14-26/h3,5-6,9-12,15,21-22H,4,7-8,13-14,16-17H2,1-2H3/p+1