3-(4-aminophenyl)-1-[7-(4-methylphenyl)-2,3-dihydro-1-benzoxepin-4-yl]-2-(1-methylpiperidin-1-ium-1-yl)propan-1-one

Systemtic Name: 3-(4-aminophenyl)-1-[7-(4-methylphenyl)-2,3-dihydro-1-benzoxepin-4-yl]-2-(1-methylpiperidin-1-ium-1-yl)propan-1-one Openeye Name: 3-(4-aminophenyl)-2-(1-methylpiperidin-1-ium-1-yl)-1-[7-(p-tolyl)-2,3-dihydro-1-benzoxepin-4-yl]propan-1-one CAS Name: 3-(4-aminophenyl)-1-[7-(4-methylphenyl)-2,3-dihydro-1-benzoxepin-4-yl]-2-(1-methyl-1-piperidin-1-iumyl)-1-propanone IUPAC Name: 3-(4-aminophenyl)-1-[7-(4-methylphenyl)-2,3-dihydro-1-benzoxepin-4-yl]-2-(1-methylpiperidin-1-ium-1-yl)propan-1-one Traditional Name: 3-(4-aminophenyl)-2-(1-methylpiperidin-1-ium-1-yl)-1-[7-(p-tolyl)-2,3-dihydro-1-benzoxepin-4-yl]propan-1-one Formula: C32H37N2O2+ MolecularWeight: 481.64838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OCCC(=C3)C(=O)C(CC4=CC=C(C=C4)N)[N+]5(CCCCC5)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OCCC(=C3)C(=O)C(CC4=CC=C(C=C4)N)[N+]5(CCCCC5)C

InChI

InChI=1S/C32H37N2O2/c1-23-6-10-25(11-7-23)26-12-15-31-28(21-26)22-27(16-19-36-31)32(35)30(34(2)17-4-3-5-18-34)20-24-8-13-29(33)14-9-24/h6-15,21-22,30H,3-5,16-20,33H2,1-2H3/q+1