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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OCCC(=C3)C(=O)NC4=CC=C(C=C4)CC[N+]5(CCCCC5)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OCCC(=C3)C(=O)NC4=CC=C(C=C4)CC[N+]5(CCCCC5)C

InChI

InChI=1S/C32H36N2O2/c1-24-6-10-26(11-7-24)27-12-15-31-29(22-27)23-28(17-21-36-31)32(35)33-30-13-8-25(9-14-30)16-20-34(2)18-4-3-5-19-34/h6-15,22-23H,3-5,16-21H2,1-2H3/p+1