[7-(4-ethoxyphenyl)-2,3-dihydro-1-benzoxepin-4-yl]carbonyl-methyl-[(oxan-4-ylamino)methyl]-phenyl-azanium

Systemtic Name: [7-(4-ethoxyphenyl)-2,3-dihydro-1-benzoxepin-4-yl]carbonyl-methyl-[(oxan-4-ylamino)methyl]-phenyl-azanium Openeye Name: [7-(4-ethoxyphenyl)-2,3-dihydro-1-benzoxepine-4-carbonyl]-methyl-phenyl-[(tetrahydropyran-4-ylamino)methyl]ammonium CAS Name: [[7-(4-ethoxyphenyl)-2,3-dihydro-1-benzoxepin-4-yl]-oxomethyl]-methyl-[(4-oxanylamino)methyl]-phenylammonium IUPAC Name: [7-(4-ethoxyphenyl)-2,3-dihydro-1-benzoxepine-4-carbonyl]-methyl-[(oxan-4-ylamino)methyl]-phenylazanium Traditional Name: methyl-phenyl-(7-p-phenetyl-2,3-dihydro-1-benzoxepin-4-carbonyl)-[(tetrahydropyran-4-ylamino)methyl]ammonium Formula: C32H37N2O4+ MolecularWeight: 513.64718

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CC3=C(C=C2)OCCC(=C3)C(=O)[N+](C)(CNC4CCOCC4)C5=CC=CC=C5

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CC3=C(C=C2)OCCC(=C3)C(=O)[N+](C)(CNC4CCOCC4)C5=CC=CC=C5

InChI

InChI=1S/C32H37N2O4/c1-3-37-30-12-9-24(10-13-30)25-11-14-31-27(21-25)22-26(15-20-38-31)32(35)34(2,29-7-5-4-6-8-29)23-33-28-16-18-36-19-17-28/h4-14,21-22,28,33H,3,15-20,23H2,1-2H3/q+1