[4-(2-chloranyl-3-methoxy-phenyl)-3-phenyl-1-(2-phenylpropanoyloxy)butyl]-methyl-azanium

Systemtic Name: [4-(2-chloranyl-3-methoxy-phenyl)-3-phenyl-1-(2-phenylpropanoyloxy)butyl]-methyl-azanium Openeye Name: [4-(2-chloro-3-methoxy-phenyl)-3-phenyl-1-(2-phenylpropanoyloxy)butyl]-methyl-ammonium CAS Name: [4-(2-chloro-3-methoxyphenyl)-1-(1-oxo-2-phenylpropoxy)-3-phenylbutyl]-methylammonium IUPAC Name: [4-(2-chloro-3-methoxyphenyl)-3-phenyl-1-(2-phenylpropanoyloxy)butyl]-methylazanium Traditional Name: [4-(2-chloro-3-methoxy-phenyl)-1-hydratropoyloxy-3-phenyl-butyl]-methyl-ammonium Formula: C27H31ClNO3+ MolecularWeight: 452.99294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C(=O)OC(CC(CC2=C(C(=CC=C2)OC)Cl)C3=CC=CC=C3)[NH2+]C

Isomeric SMILES

CC(C1=CC=CC=C1)C(=O)OC(CC(CC2=C(C(=CC=C2)OC)Cl)C3=CC=CC=C3)[NH2+]C

InChI

InChI=1S/C27H30ClNO3/c1-19(20-11-6-4-7-12-20)27(30)32-25(29-2)18-23(21-13-8-5-9-14-21)17-22-15-10-16-24(31-3)26(22)28/h4-16,19,23,25,29H,17-18H2,1-3H3/p+1