[4-azanyl-2-[[7-(4-methylphenyl)-2,3-dihydro-1-benzoxepin-4-yl]carbonyl]phenyl]methyl-cyclohexyl-dimethyl-azanium

Systemtic Name: [4-azanyl-2-[[7-(4-methylphenyl)-2,3-dihydro-1-benzoxepin-4-yl]carbonyl]phenyl]methyl-cyclohexyl-dimethyl-azanium Openeye Name: [4-amino-2-[7-(p-tolyl)-2,3-dihydro-1-benzoxepine-4-carbonyl]phenyl]methyl-cyclohexyl-dimethyl-ammonium CAS Name: [4-amino-2-[[7-(4-methylphenyl)-2,3-dihydro-1-benzoxepin-4-yl]-oxomethyl]phenyl]methyl-cyclohexyl-dimethylammonium IUPAC Name: [4-amino-2-[7-(4-methylphenyl)-2,3-dihydro-1-benzoxepine-4-carbonyl]phenyl]methyl-cyclohexyl-dimethylazanium Traditional Name: [4-amino-2-[7-(p-tolyl)-2,3-dihydro-1-benzoxepin-4-carbonyl]benzyl]-cyclohexyl-dimethyl-ammonium Formula: C33H39N2O2+ MolecularWeight: 495.67496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OCCC(=C3)C(=O)C4=C(C=CC(=C4)N)C[N+](C)(C)C5CCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OCCC(=C3)C(=O)C4=C(C=CC(=C4)N)C[N+](C)(C)C5CCCCC5

InChI

InChI=1S/C33H39N2O2/c1-23-9-11-24(12-10-23)25-14-16-32-28(19-25)20-26(17-18-37-32)33(36)31-21-29(34)15-13-27(31)22-35(2,3)30-7-5-4-6-8-30/h9-16,19-21,30H,4-8,17-18,22,34H2,1-3H3/q+1