7-(4-methylphenyl)-N-[4-[(1-methylpiperidin-1-ium-1-yl)methyl]phenyl]-2-phenyl-2,3-dihydro-1-benzoxepine-4-carboxamide iodide

Systemtic Name: 7-(4-methylphenyl)-N-[4-[(1-methylpiperidin-1-ium-1-yl)methyl]phenyl]-2-phenyl-2,3-dihydro-1-benzoxepine-4-carboxamide iodide Openeye Name: N-[4-[(1-methylpiperidin-1-ium-1-yl)methyl]phenyl]-2-phenyl-7-(p-tolyl)-2,3-dihydro-1-benzoxepine-4-carboxamide iodide CAS Name: 7-(4-methylphenyl)-N-[4-[(1-methyl-1-piperidin-1-iumyl)methyl]phenyl]-2-phenyl-2,3-dihydro-1-benzoxepin-4-carboxamide iodide IUPAC Name: 7-(4-methylphenyl)-N-[4-[(1-methylpiperidin-1-ium-1-yl)methyl]phenyl]-2-phenyl-2,3-dihydro-1-benzoxepine-4-carboxamide iodide Traditional Name: N-[4-[(1-methylpiperidin-1-ium-1-yl)methyl]phenyl]-2-phenyl-7-(p-tolyl)-2,3-dihydro-1-benzoxepin-4-carboxamide iodide Formula: C37H39IN2O2 MolecularWeight: 670.62223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OC(CC(=C3)C(=O)NC4=CC=C(C=C4)C[N+]5(CCCCC5)C)C6=CC=CC=C6.[I-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OC(CC(=C3)C(=O)NC4=CC=C(C=C4)C[N+]5(CCCCC5)C)C6=CC=CC=C6.[I-]

InChI

InChI=1S/C37H38N2O2.HI/c1-27-11-15-29(16-12-27)31-17-20-35-32(23-31)24-33(25-36(41-35)30-9-5-3-6-10-30)37(40)38-34-18-13-28(14-19-34)26-39(2)21-7-4-8-22-39;/h3,5-6,9-20,23-24,36H,4,7-8,21-22,25-26H2,1-2H3;1H