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cyclohexyl-methyl-[[7-(4-methylphenyl)-2,3-dihydro-1-benzoxepin-4-yl]carbonyl]-[(oxan-4-ylamino)methyl]azanium

cyclohexyl-methyl-[[7-(4-methylphenyl)-2,3-dihydro-1-benzoxepin-4-yl]carbonyl]-[(oxan-4-ylamino)methyl]azanium

Systemtic Name:cyclohexyl-methyl-[[7-(4-methylphenyl)-2,3-dihydro-1-benzoxepin-4-yl]carbonyl]-[(oxan-4-ylamino)methyl]azanium
Openeye Name:cyclohexyl-methyl-[7-(p-tolyl)-2,3-dihydro-1-benzoxepine-4-carbonyl]-[(tetrahydropyran-4-ylamino)methyl]ammonium
CAS Name:cyclohexyl-methyl-[[7-(4-methylphenyl)-2,3-dihydro-1-benzoxepin-4-yl]-oxomethyl]-[(4-oxanylamino)methyl]ammonium
IUPAC Name:cyclohexyl-methyl-[7-(4-methylphenyl)-2,3-dihydro-1-benzoxepine-4-carbonyl]-[(oxan-4-ylamino)methyl]azanium
Traditional Name:cyclohexyl-methyl-[7-(p-tolyl)-2,3-dihydro-1-benzoxepin-4-carbonyl]-[(tetrahydropyran-4-ylamino)methyl]ammonium
Formula: C31H41N2O3+
MolecularWeight: 489.66884
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OCCC(=C3)C(=O)[N+](C)(CNC4CCOCC4)C5CCCCC5


Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OCCC(=C3)C(=O)[N+](C)(CNC4CCOCC4)C5CCCCC5


InChI

InChI=1S/C31H41N2O3/c1-23-8-10-24(11-9-23)25-12-13-30-27(20-25)21-26(14-19-36-30)31(34)33(2,29-6-4-3-5-7-29)22-32-28-15-17-35-18-16-28/h8-13,20-21,28-29,32H,3-7,14-19,22H2,1-2H3/q+1


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