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

Systemtic Name: cyclohexyl-[[4-(8,9-dihydro-7H-benzo[7]annulen-6-ylcarbonylamino)phenyl]methyl]-dimethyl-azanium Openeye Name: cyclohexyl-[[4-(8,9-dihydro-7H-benzo[7]annulene-6-carbonylamino)phenyl]methyl]-dimethyl-ammonium CAS Name: cyclohexyl-[[4-[[8,9-dihydro-7H-benzo[7]annulen-6-yl(oxo)methyl]amino]phenyl]methyl]-dimethylammonium IUPAC Name: cyclohexyl-[[4-(8,9-dihydro-7H-benzo[7]annulene-6-carbonylamino)phenyl]methyl]-dimethylazanium Traditional Name: cyclohexyl-[4-(8,9-dihydro-7H-benzocycloheptene-6-carbonylamino)benzyl]-dimethyl-ammonium Formula: C27H35N2O+ MolecularWeight: 403.5796

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CC1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3CCC2)C4CCCCC4

Isomeric SMILES

C[N+](C)(CC1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3CCC2)C4CCCCC4

InChI

InChI=1S/C27H34N2O/c1-29(2,26-13-4-3-5-14-26)20-21-15-17-25(18-16-21)28-27(30)24-12-8-11-22-9-6-7-10-23(22)19-24/h6-7,9-10,15-19,26H,3-5,8,11-14,20H2,1-2H3/p+1