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

Systemtic Name: 7-(4-methylphenyl)-N-[4-[(1-methylpiperidin-1-ium-1-yl)methyl]phenyl]-2,3-dihydro-1-benzoxepine-4-carboxamide Openeye Name: N-[4-[(1-methylpiperidin-1-ium-1-yl)methyl]phenyl]-7-(p-tolyl)-2,3-dihydro-1-benzoxepine-4-carboxamide CAS Name: 7-(4-methylphenyl)-N-[4-[(1-methyl-1-piperidin-1-iumyl)methyl]phenyl]-2,3-dihydro-1-benzoxepin-4-carboxamide IUPAC Name: 7-(4-methylphenyl)-N-[4-[(1-methylpiperidin-1-ium-1-yl)methyl]phenyl]-2,3-dihydro-1-benzoxepine-4-carboxamide Traditional Name: N-[4-[(1-methylpiperidin-1-ium-1-yl)methyl]phenyl]-7-(p-tolyl)-2,3-dihydro-1-benzoxepin-4-carboxamide Formula: C31H35N2O2+ MolecularWeight: 467.6218

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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)C[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)C[N+]5(CCCCC5)C

InChI

InChI=1S/C31H34N2O2/c1-23-6-10-25(11-7-23)26-12-15-30-28(20-26)21-27(16-19-35-30)31(34)32-29-13-8-24(9-14-29)22-33(2)17-4-3-5-18-33/h6-15,20-21H,3-5,16-19,22H2,1-2H3/p+1