dimethyl-[[4-[[7-(4-methylphenyl)-2,3-dihydro-1-benzoxepin-4-yl]carbonylamino]phenyl]methyl]-pentan-3-yl-azanium iodide

Systemtic Name: dimethyl-[[4-[[7-(4-methylphenyl)-2,3-dihydro-1-benzoxepin-4-yl]carbonylamino]phenyl]methyl]-pentan-3-yl-azanium iodide Openeye Name: 1-ethylpropyl-dimethyl-[[4-[[7-(p-tolyl)-2,3-dihydro-1-benzoxepine-4-carbonyl]amino]phenyl]methyl]ammonium iodide CAS Name: dimethyl-[[4-[[[7-(4-methylphenyl)-2,3-dihydro-1-benzoxepin-4-yl]-oxomethyl]amino]phenyl]methyl]-pentan-3-ylammonium iodide IUPAC Name: dimethyl-[[4-[[7-(4-methylphenyl)-2,3-dihydro-1-benzoxepine-4-carbonyl]amino]phenyl]methyl]-pentan-3-ylazanium iodide Traditional Name: 1-ethylpropyl-dimethyl-[4-[[7-(p-tolyl)-2,3-dihydro-1-benzoxepin-4-carbonyl]amino]benzyl]ammonium iodide Formula: C32H39IN2O2 MolecularWeight: 610.56873

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)[N+](C)(C)CC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=CC(=C3)C4=CC=C(C=C4)C)OCC2.[I-]

Isomeric SMILES

CCC(CC)[N+](C)(C)CC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=CC(=C3)C4=CC=C(C=C4)C)OCC2.[I-]

InChI

InChI=1S/C32H38N2O2.HI/c1-6-30(7-2)34(4,5)22-24-10-15-29(16-11-24)33-32(35)27-18-19-36-31-17-14-26(20-28(31)21-27)25-12-8-23(3)9-13-25;/h8-17,20-21,30H,6-7,18-19,22H2,1-5H3;1H