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

Systemtic Name: N-[4-[(1-ethylpiperidin-1-ium-1-yl)methyl]phenyl]-7-(4-methylphenyl)-2,3-dihydro-1-benzoxepine-4-carboxamide Openeye Name: N-[4-[(1-ethylpiperidin-1-ium-1-yl)methyl]phenyl]-7-(p-tolyl)-2,3-dihydro-1-benzoxepine-4-carboxamide CAS Name: N-[4-[(1-ethyl-1-piperidin-1-iumyl)methyl]phenyl]-7-(4-methylphenyl)-2,3-dihydro-1-benzoxepin-4-carboxamide IUPAC Name: N-[4-[(1-ethylpiperidin-1-ium-1-yl)methyl]phenyl]-7-(4-methylphenyl)-2,3-dihydro-1-benzoxepine-4-carboxamide Traditional Name: N-[4-[(1-ethylpiperidin-1-ium-1-yl)methyl]phenyl]-7-(p-tolyl)-2,3-dihydro-1-benzoxepin-4-carboxamide Formula: C32H37N2O2+ MolecularWeight: 481.64838

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCCCC1)CC2=CC=C(C=C2)NC(=O)C3=CC4=C(C=CC(=C4)C5=CC=C(C=C5)C)OCC3

Isomeric SMILES

CC[N+]1(CCCCC1)CC2=CC=C(C=C2)NC(=O)C3=CC4=C(C=CC(=C4)C5=CC=C(C=C5)C)OCC3

InChI

InChI=1S/C32H36N2O2/c1-3-34(18-5-4-6-19-34)23-25-9-14-30(15-10-25)33-32(35)28-17-20-36-31-16-13-27(21-29(31)22-28)26-11-7-24(2)8-12-26/h7-16,21-22H,3-6,17-20,23H2,1-2H3/p+1