[4-[(3-bromanyl-8,9-dihydro-7H-benzo[7]annulen-6-yl)carbonylamino]phenyl]methyl-cyclohexyl-dimethyl-azanium

Systemtic Name: [4-[(3-bromanyl-8,9-dihydro-7H-benzo[7]annulen-6-yl)carbonylamino]phenyl]methyl-cyclohexyl-dimethyl-azanium Openeye Name: [4-[(3-bromo-8,9-dihydro-7H-benzo[7]annulene-6-carbonyl)amino]phenyl]methyl-cyclohexyl-dimethyl-ammonium CAS Name: [4-[[(3-bromo-8,9-dihydro-7H-benzo[7]annulen-6-yl)-oxomethyl]amino]phenyl]methyl-cyclohexyl-dimethylammonium IUPAC Name: [4-[(3-bromo-8,9-dihydro-7H-benzo[7]annulene-6-carbonyl)amino]phenyl]methyl-cyclohexyl-dimethylazanium Traditional Name: [4-[(3-bromo-8,9-dihydro-7H-benzocycloheptene-6-carbonyl)amino]benzyl]-cyclohexyl-dimethyl-ammonium Formula: C27H34BrN2O+ MolecularWeight: 482.47566

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CC1=CC=C(C=C1)NC(=O)C2=CC3=C(CCC2)C=CC(=C3)Br)C4CCCCC4

Isomeric SMILES

C[N+](C)(CC1=CC=C(C=C1)NC(=O)C2=CC3=C(CCC2)C=CC(=C3)Br)C4CCCCC4

InChI

InChI=1S/C27H33BrN2O/c1-30(2,26-9-4-3-5-10-26)19-20-11-15-25(16-12-20)29-27(31)22-8-6-7-21-13-14-24(28)18-23(21)17-22/h11-18,26H,3-10,19H2,1-2H3/p+1