(2-chloranyl-6-fluoranyl-phenyl)methyl-cyclopropyl-[2-[(3-methoxy-4-phenylmethoxy-phenyl)methylamino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl-cyclopropyl-[2-[(3-methoxy-4-phenylmethoxy-phenyl)methylamino]-2-oxidanylidene-ethyl]azanium Openeye Name: [2-[(4-benzyloxy-3-methoxy-phenyl)methylamino]-2-oxo-ethyl]-[(2-chloro-6-fluoro-phenyl)methyl]-cyclopropyl-ammonium CAS Name: (2-chloro-6-fluorophenyl)methyl-cyclopropyl-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-2-oxoethyl]ammonium IUPAC Name: (2-chloro-6-fluorophenyl)methyl-cyclopropyl-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-2-oxoethyl]azanium Traditional Name: [2-[(4-benzoxy-3-methoxy-benzyl)amino]-2-keto-ethyl]-(2-chloro-6-fluoro-benzyl)-cyclopropyl-ammonium Formula: C27H29ClFN2O3+ MolecularWeight: 483.982163

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNC(=O)C[NH+](CC2=C(C=CC=C2Cl)F)C3CC3)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)CNC(=O)C[NH+](CC2=C(C=CC=C2Cl)F)C3CC3)OCC4=CC=CC=C4

InChI

InChI=1S/C27H28ClFN2O3/c1-33-26-14-20(10-13-25(26)34-18-19-6-3-2-4-7-19)15-30-27(32)17-31(21-11-12-21)16-22-23(28)8-5-9-24(22)29/h2-10,13-14,21H,11-12,15-18H2,1H3,(H,30,32)/p+1